data_2kn4_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 2kn4 _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 . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.967 0.413 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 49.1 tt0 -90.07 97.17 11.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.969 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.599 ' O ' ' HA ' ' A' ' 17' ' ' THR . 18.4 m-85 -84.26 135.53 34.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.792 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.613 ' HB3' HG22 ' A' ' 51' ' ' THR . 3.1 tppp? -91.6 126.45 36.69 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.184 174.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 30' ' ' PHE . 57.6 tp -97.55 121.89 39.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.483 172.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mm -94.39 104.07 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.116 0.484 . . . . 0.0 109.704 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.938 ' HB3' HD11 ' A' ' 12' ' ' LEU . 14.5 mt -83.07 99.46 9.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.298 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.58 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 40.9 t30 -109.09 40.86 1.74 Allowed 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.765 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -83.23 173.58 51.93 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.351 -169.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 18.7 pttm -81.43 -28.49 34.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -41.75 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.938 HD11 ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -136.92 165.36 26.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.976 -176.018 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 81.6 tttt -148.89 94.97 2.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 170.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.571 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.95 -175.6 22.29 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.34 -174.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 44.2 mt-10 -130.95 143.06 50.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -152.44 157.53 41.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.764 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 39.9 p -133.12 152.01 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 111.314 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.415 HG21 ' CE1' ' A' ' 30' ' ' PHE . 9.5 t -136.53 139.71 42.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.432 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 96.17 3.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.39 141.01 39.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.319 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -79.03 -23.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.037 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -149.22 157.93 43.76 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.41 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.74 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -75.13 -41.1 59.12 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.758 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.97 87.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.316 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -62.85 -28.93 70.36 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.791 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -67.18 -46.71 73.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.49 -37.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.166 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.8 m-30 -66.34 -35.68 80.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.116 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -68.47 -37.78 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.145 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.5 -48.27 80.31 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.35 -48.35 82.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.407 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -64.78 -46.31 82.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.44 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -67.76 -36.65 80.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.16 -40.89 82.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.673 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -73.62 -38.19 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.519 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.3 23.55 4.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.48 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.506 HG13 HD12 ' A' ' 12' ' ' LEU . 2.4 p -105.49 124.26 60.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.1 0.476 . . . . 0.0 110.952 177.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -119.83 85.26 2.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.62 171.52 18.35 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.214 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.52 108.74 3.92 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -68.53 112.19 5.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 p -130.34 119.25 22.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.259 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE1' ' HE2' ' A' ' 3' ' ' TYR . 60.1 t80 -99.75 130.36 45.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 0.0 110.603 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -108.94 117.29 33.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.66 -32.75 66.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.248 -177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 -47.69 79.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -103.9 -2.29 26.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.751 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 61.28 38.04 16.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.613 HG22 ' HB3' ' A' ' 4' ' ' LYS . 40.7 p -110.77 142.56 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 111.984 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' HD12 ' A' ' 5' ' ' LEU . 44.7 m-85 -103.19 112.98 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -102.63 121.41 42.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.546 0.212 . . . . 0.0 111.04 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.01 103.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.0 109.961 170.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.58 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.6 m -90.91 113.71 25.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.765 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 37.3 tt0 . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.879 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -92.87 148.67 21.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.972 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -110.71 149.76 30.02 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.0 tppp? -111.21 117.0 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.043 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.566 HG23 ' HB1' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -106.75 127.32 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -126.88 174.94 8.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.569 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 64.29 17.3 10.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -171.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 115' ' ' ALA . 28.8 tp -63.02 133.42 54.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.385 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 2.2 p -71.54 141.3 50.1 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.422 176.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -74.82 -5.55 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 0.0 111.554 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HG2' ' HB ' ' A' ' 79' ' ' THR . 15.7 ptm180 -88.33 -0.47 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.95 0.405 . . . . 0.0 110.47 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.545 HG21 HD13 ' A' ' 78' ' ' LEU . 13.3 m -76.79 131.56 38.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.823 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.738 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.2 m -102.12 149.77 36.88 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.702 ' HA ' HD12 ' A' ' 102' ' ' ILE . 73.1 Cg_exo -49.08 -46.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.897 2.398 . . . . 0.0 113.019 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.26 -33.72 59.17 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.287 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.738 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.4 m -57.88 -57.13 14.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.002 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.533 HD21 ' HE2' ' A' ' 91' ' ' PHE . 32.9 mt -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.577 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.42 ' HB2' HG22 ' A' ' 100' ' ' VAL . 63.9 ttt180 -58.77 -43.67 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.42 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -64.4 -37.81 88.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.217 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 86' ' ' THR . 11.4 t -74.44 -54.71 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 37.7 m-85 -61.6 -32.94 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.55 -13.16 38.7 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.04 -33.02 45.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.195 0.522 . . . . 0.0 110.443 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.38 -32.51 24.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.195 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.478 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -164.28 172.36 40.05 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -76.45 98.78 4.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.8 p -90.48 140.78 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.187 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.51 -50.18 3.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.19 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -157.72 165.8 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.42 HG22 ' HB2' ' A' ' 88' ' ' ARG . 21.4 m -131.06 143.08 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.141 0.496 . . . . 0.0 110.803 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -121.61 93.79 4.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.997 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 84' ' ' PRO . 35.4 mt . . . . . 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.808 0.337 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.631 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -148.3 160.55 42.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.987 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -121.3 145.3 48.01 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.972 HG22 ' HB2' ' A' ' 73' ' ' LEU . 3.0 m -132.18 131.73 61.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -108.58 117.34 33.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.929 0.395 . . . . 0.0 111.111 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.564 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 3.8 m-85 -99.96 168.34 9.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.474 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -56.7 -60.65 3.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.276 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.495 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.2 t70 -143.97 169.87 16.99 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 78.3 tttt -58.59 -33.38 69.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.495 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 0.2 OUTLIER -54.42 -37.36 65.02 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.915 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.539 ' CB ' ' HD2' ' A' ' 119' ' ' PHE . 10.2 m-20 -79.42 -34.32 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.312 0.577 . . . . 0.0 110.037 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' A' ' 73' ' ' LEU . . . -73.52 -31.71 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.323 -175.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.8 mt-10 -58.75 -49.89 75.96 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.388 0.43 . . . . 0.0 110.584 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -62.45 -37.79 87.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.09 -53.11 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -174.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.671 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -62.14 -38.42 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 -176.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.671 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 24.1 t70 -71.33 -41.83 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.744 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.85 -52.67 12.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.725 ' HA ' ' HB3' ' A' ' 135' ' ' ALA . 59.7 mtp -83.79 1.04 44.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.592 -167.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.401 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 18.5 t70 -71.33 86.74 0.82 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 165.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.699 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.03 23.92 4.08 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.496 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 132' ' ' MET . . . -99.58 131.19 45.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.168 0.187 . . . . 0.0 110.5 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.0 t -95.84 113.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.696 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.623 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -85.44 -15.94 41.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 110.283 178.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.484 ' N ' HD12 ' A' ' 137' ' ' LEU . 19.3 t70 -164.95 -70.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.95 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.0 35.47 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.647 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 2.3 tpm_? -156.48 127.65 6.97 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.184 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.699 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 29.3 mt-10 -78.69 113.18 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 168.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 137' ' ' LEU . 2.4 mm? -63.98 144.84 56.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 110.995 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.401 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 18.9 tpp180 -92.01 86.58 5.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 129' ' ' MET . 30.5 t -96.18 117.92 41.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.12 164.9 21.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 51.6 ttm -79.86 117.63 20.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 121.254 0.55 . . . . 0.0 110.363 -178.668 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mmm . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -83.03 100.34 10.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.607 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.502 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 27.7 m-85 -93.54 137.47 32.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.901 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.613 ' HD3' ' HB3' ' A' ' 15' ' ' GLU . 33.2 ttmt -110.46 138.18 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.202 0.525 . . . . 0.0 111.547 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 30' ' ' PHE . 59.2 tp -99.24 121.69 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.568 174.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.3 mm -95.48 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.412 0.625 . . . . 0.0 109.515 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.627 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 11.1 mt -81.02 118.31 22.38 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.107 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 15.5 t-20 -128.53 58.88 1.55 Allowed 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 177.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.68 -153.51 29.75 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.506 -170.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.583 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.5 -63.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.223 0.535 . . . . 0.0 110.038 -177.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.7 p -114.28 -37.69 4.31 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.45 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.688 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.53 128.95 34.0 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 122.365 1.079 . . . . 0.0 111.128 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.7 mtpm? -150.79 91.4 1.72 Allowed 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.619 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.627 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.56 -174.07 19.92 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.888 -174.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.613 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 13.7 mp0 -123.94 146.25 48.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.738 0.304 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -155.94 154.69 31.55 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.468 HG23 ' HB2' ' A' ' 4' ' ' LYS . 66.5 p -126.69 165.9 18.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 t -146.25 151.99 38.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.828 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.53 99.53 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.13 134.27 54.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.997 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.93 -19.62 16.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.726 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -158.99 172.12 18.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.944 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB2' ' HZ ' ' A' ' 52' ' ' PHE . . . -62.67 -46.29 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.034 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.13 -36.58 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 111.115 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -66.1 -42.84 88.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.18 0.514 . . . . 0.0 110.476 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.16 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.661 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.1 pt-20 -60.61 -37.52 81.67 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.085 -174.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.37 -39.11 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 111.365 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -72.87 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.156 0.503 . . . . 0.0 110.121 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.7 m-30 -65.5 -31.54 72.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.248 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 66.4 mttm -68.56 -33.71 74.57 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.95 177.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -44.33 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.91 -52.7 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.906 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.22 -46.66 89.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.535 -177.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.44 -36.88 82.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.92 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.09 -26.98 63.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.541 . . . . 0.0 110.568 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.9 OUTLIER -85.44 -37.59 19.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 176.194 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.09 -0.27 28.41 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.002 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.508 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 1.7 p -86.3 109.86 19.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.357 0.599 . . . . 0.0 111.434 -177.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -110.23 101.58 10.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.39 176.77 16.25 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.398 -0.905 . . . . 0.0 111.83 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.53 107.86 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.405 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 73.4 m95 -67.98 103.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.911 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.53 116.19 22.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.314 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' OH ' ' HD3' ' A' ' 50' ' ' LYS . 34.9 t80 -98.78 119.91 38.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -95.1 120.44 35.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -76.75 167.18 22.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.323 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 76.96 -43.0 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.035 0.934 . . . . 0.0 111.147 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.7 p -89.67 -16.62 30.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.72 0.295 . . . . 0.0 110.568 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.2 mmtt 60.37 42.69 14.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 4' ' ' LYS . 27.5 p -113.54 124.39 52.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.5 m-85 -95.91 112.09 23.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.474 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 40.6 m -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.41 102.78 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 170.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.461 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 7.6 m -92.72 100.63 13.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.422 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.653 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 122' ' ' LYS . 7.1 p . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.335 0.588 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -140.83 131.37 25.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.699 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 1.014 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.7 mm? -105.32 152.27 23.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 1.3 tmmt? -128.23 109.4 11.44 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.079 0.466 . . . . 0.0 109.981 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 144' ' ' VAL . 0.8 OUTLIER -84.74 130.6 35.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.654 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.482 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -124.58 168.42 13.15 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.517 -174.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 30.5 m-80 62.62 31.13 16.94 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -169.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 115' ' ' ALA . 39.6 tp -79.75 142.41 35.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.993 -174.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.3 p -86.39 141.98 28.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -80.67 59.25 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.717 0.77 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -147.56 16.0 1.13 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.502 -1.226 . . . . 0.0 107.864 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.42 HG23 HD11 ' A' ' 78' ' ' LEU . 92.3 m -102.65 118.43 36.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.911 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.722 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.6 m -94.26 156.75 38.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.51 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.564 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.9 Cg_endo -50.2 -50.69 12.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.953 2.435 . . . . 0.0 112.796 177.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.2 -34.22 71.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.722 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -53.12 -56.58 15.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.719 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.548 HD21 ' HE2' ' A' ' 91' ' ' PHE . 22.2 mt -74.49 -36.14 63.26 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.035 -177.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -55.58 -50.34 70.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -54.96 -41.28 70.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.71 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 86' ' ' THR . 4.3 t -74.83 -55.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.0 111.321 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.548 ' HE2' HD21 ' A' ' 87' ' ' LEU . 35.4 m-85 -64.05 -36.06 82.78 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -171.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HA ' HG12 ' A' ' 97' ' ' VAL . 13.0 pt-20 -63.14 -12.67 29.19 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -72.82 -37.18 67.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.427 . . . . 0.0 110.392 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -83.45 -33.95 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.431 -173.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.22 179.93 34.48 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -83.73 98.17 9.53 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.6 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.4 p -91.72 121.7 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.765 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.18 -45.37 6.62 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.97 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -136.49 155.2 50.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.411 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.25 125.53 66.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.473 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 2.2 t80 -85.7 -60.02 2.14 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.124 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.725 HG12 ' HB3' ' A' ' 115' ' ' ALA . 10.6 mt . . . . . 0 N--CA 1.469 0.483 0 O-C-N 124.324 1.015 . . . . 0.0 110.254 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 19.2 p90 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.725 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -141.19 144.15 34.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.799 0.333 . . . . 0.0 111.489 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 35.7 m-85 -98.84 142.23 30.62 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 73' ' ' LEU . 2.8 m -128.32 133.49 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.852 175.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.526 0.203 . . . . 0.0 111.169 -170.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.791 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 15.6 m-85 -102.67 165.91 10.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.9 -67.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.276 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.518 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 1.2 t70 -129.71 -175.92 3.75 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.316 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.602 ' HA ' HG23 ' A' ' 71' ' ' THR . 75.8 tttt -68.85 -32.01 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.518 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 29.4 ptt180 -55.45 -36.48 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.791 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 8.7 m-20 -77.29 -37.53 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.133 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.457 ' HB1' HD12 ' A' ' 73' ' ' LEU . . . -73.28 -41.53 63.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.411 -174.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.474 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 50.8 mt-10 -67.21 -39.96 86.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.202 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.2 -43.65 78.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.719 0.771 . . . . 0.0 109.625 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.81 -52.71 7.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.519 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.741 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.04 -32.58 73.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.263 . . . . 0.0 111.194 -176.005 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.433 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 21.5 t70 -68.49 -37.91 80.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.202 0.525 . . . . 0.0 109.874 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.86 -56.21 5.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.792 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.529 ' HA ' ' HB1' ' A' ' 135' ' ' ALA . 65.7 mtp -84.9 0.27 51.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.48 -169.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -67.29 93.11 0.3 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.674 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 104.81 40.08 2.22 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.343 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.529 ' HB1' ' HA ' ' A' ' 132' ' ' MET . . . -111.4 119.26 38.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.397 0.279 . . . . 0.0 110.774 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.619 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 41.3 t -87.23 118.36 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.147 0.975 . . . . 0.0 111.309 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -107.43 -22.85 12.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.524 -174.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.35 -66.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.668 0.747 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -162.71 28.09 0.25 Allowed Glycine 0 CA--C 1.498 -0.994 0 N-CA-C 107.091 -2.403 . . . . 0.0 107.091 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.619 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.3 tpp180 -151.63 128.83 11.18 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 112.35 -1.925 . . . . 0.0 108.895 -170.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.674 ' HB2' ' HA2' ' A' ' 134' ' ' GLY . 1.5 pm0 -84.39 111.84 19.81 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -56.49 143.57 34.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.165 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.6 tpp180 -90.42 82.98 5.86 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 172.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 60.6 t -84.42 109.76 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.244 0.545 . . . . 0.0 110.377 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.28 179.3 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.975 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.3 mmt -73.41 141.33 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.359 0.6 . . . . 0.0 112.542 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.746 0.307 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -105.53 125.02 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.904 0.383 . . . . 0.0 110.076 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 17' ' ' THR . 27.7 m-85 -110.59 142.67 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.111 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.639 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.1 ttmt -112.98 127.52 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.067 0.46 . . . . 0.0 111.314 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.479 HD11 ' O ' ' A' ' 52' ' ' PHE . 43.1 tp -94.49 123.23 37.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 mm -98.84 104.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.644 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.6 mt -82.24 98.16 8.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.456 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 35.6 t-20 -100.69 57.73 0.91 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.4 -138.28 8.34 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.942 -173.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 49.2 mtpt -120.5 -59.41 1.77 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.336 0.589 . . . . 0.0 109.625 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.0 m -90.51 -28.79 18.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.417 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 37' ' ' ASN . 58.2 tp -109.41 116.96 32.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.114 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.22 97.44 3.6 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 173.02 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.644 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.89 170.37 29.98 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.915 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 5.1 mp0 -122.53 126.67 48.28 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -134.41 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 42.8 p -128.25 154.35 45.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.021 0.438 . . . . 0.0 111.324 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -136.46 143.19 43.73 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -85.26 75.39 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.24 136.7 32.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.006 -173.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 m -68.6 -31.43 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.154 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.42 163.39 32.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.541 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.97 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.07 72.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.493 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.0 m -73.0 -36.0 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.058 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.04 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.238 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.7 pt-20 -61.27 -37.49 83.35 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -51.3 -48.39 62.33 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.987 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.6 t -76.4 -38.05 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.183 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -61.59 -36.06 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 0.0 110.033 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -71.38 -37.61 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.12 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.06 -47.15 87.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.85 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -61.08 -50.09 74.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.44 -48.8 73.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -60.72 -38.95 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.87 -29.39 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.848 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB3' HD22 ' A' ' 12' ' ' LEU . 19.8 m-80 -90.14 -9.82 46.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.54 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.7 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.598 -0.81 . . . . 0.0 114.008 172.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -101.65 115.27 43.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.32 0.581 . . . . 0.0 111.036 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -126.7 107.46 10.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.87 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.03 -164.32 11.19 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.705 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.06 107.18 8.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -76.67 116.05 16.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.2 p -126.92 125.79 42.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.165 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -99.15 122.98 43.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.004 0.43 . . . . 0.0 109.98 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.02 115.7 28.36 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.76 -52.55 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.13 86.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -89.56 -10.98 44.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.26 32.66 12.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.328 0.585 . . . . 0.0 109.935 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.639 HG22 ' HB3' ' A' ' 4' ' ' LYS . 19.5 p -110.0 148.67 31.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.709 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.479 ' O ' HD11 ' A' ' 5' ' ' LEU . 60.3 m-85 -109.18 111.79 23.6 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.0 m -102.1 118.17 36.33 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -98.3 105.66 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.641 0.734 . . . . 0.0 109.5 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 4.8 m -93.52 108.46 20.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.971 -169.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 0.0 109.611 175.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 122' ' ' LYS . 14.0 p . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 120.797 0.332 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 19.7 m -115.8 138.88 50.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.907 HD13 ' HB3' ' A' ' 129' ' ' MET . 2.6 mm? -115.14 138.84 50.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.777 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.58 109.46 22.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.958 173.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.83 124.12 53.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.454 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 7.3 t70 -135.3 170.85 15.3 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.502 -167.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.91 27.26 15.99 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.806 0.813 . . . . 0.0 109.118 -171.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 137' ' ' LEU . 54.6 tp -79.05 151.67 31.33 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.203 -173.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.2 p -83.44 168.99 16.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.536 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -96.25 8.35 44.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.288 0.566 . . . . 0.0 109.98 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -104.03 -3.02 25.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.18 0.514 . . . . 0.0 110.361 175.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.1 m -73.26 122.55 22.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.346 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.769 ' O ' ' HB ' ' A' ' 86' ' ' THR . 37.9 t -91.17 151.65 43.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.463 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.602 ' HA ' HD12 ' A' ' 102' ' ' ILE . 5.4 Cg_endo -51.13 -44.2 43.97 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.673 2.249 . . . . 0.0 111.903 173.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.87 -31.16 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.659 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.769 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -59.11 -59.26 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.65 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HG ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mp -61.73 -40.12 93.96 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.525 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -57.05 -45.95 82.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.908 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -68.72 -44.63 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.365 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 86' ' ' THR . 4.1 t -73.36 -44.72 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.857 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.715 ' HE1' ' HG ' ' A' ' 87' ' ' LEU . 67.2 m-85 -73.19 -31.29 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.0 pt-20 -64.64 -13.74 55.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.737 0.303 . . . . 0.0 111.755 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -66.07 -46.26 78.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.548 . . . . 0.0 110.268 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.85 -37.89 20.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.499 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.672 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -144.78 166.63 27.36 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.769 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -78.39 90.82 4.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.977 0.418 . . . . 0.0 110.395 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.3 p -86.15 133.44 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.117 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.7 -48.38 5.26 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.142 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -157.66 170.52 22.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.15 156.33 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.428 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -133.95 110.53 9.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.919 0.39 . . . . 0.0 110.04 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 84' ' ' PRO . 24.1 mt . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 44.8 p90 . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.432 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -140.67 167.1 22.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.899 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -131.29 149.85 52.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.34 0.59 . . . . 0.0 111.461 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.668 HG23 ' HB2' ' A' ' 73' ' ' LEU . 11.5 m -131.35 139.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.455 176.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 118' ' ' ARG . 31.5 ttt180 -111.18 108.95 18.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.485 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.528 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 49.0 m-85 -92.27 168.73 11.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.076 0.465 . . . . 0.0 111.513 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.512 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 5.7 t60 -74.1 -56.71 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.861 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.642 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 19.9 t70 -129.91 174.53 9.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.576 ' HA ' HG21 ' A' ' 71' ' ' THR . 82.3 tttt -65.98 -29.4 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.642 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 3.4 ptm180 -53.17 -38.95 63.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.672 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.1 m-20 -75.74 -37.76 59.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.13 -177.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HB2' ' OG1' ' A' ' 71' ' ' THR . . . -66.83 -43.87 82.61 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.82 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 41.9 mt-10 -68.95 -32.03 71.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.27 -44.88 82.34 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.644 0.735 . . . . 0.0 109.45 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.55 -48.11 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.36 -172.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.907 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -58.13 -37.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 -176.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.689 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 13.1 t70 -76.06 -45.36 34.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.3 -44.0 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -171.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.807 ' HG3' ' HB1' ' A' ' 135' ' ' ALA . 31.1 ttm -86.12 -6.42 59.01 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -168.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.05 80.33 0.94 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.538 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 129.59 10.44 2.94 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.086 -170.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.807 ' HB1' ' HG3' ' A' ' 132' ' ' MET . . . -96.85 139.94 32.15 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 122.489 0.316 . . . . 0.0 111.022 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.62 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.4 t -96.5 119.36 44.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.255 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.745 ' HB3' HD23 ' A' ' 142' ' ' LEU . 1.4 pt? -107.3 -31.2 8.3 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.809 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -153.93 51.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.35 73.01 Favored Glycine 0 C--O 1.229 -0.195 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.642 -174.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.62 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.4 OUTLIER -148.7 130.42 15.05 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 122.948 0.499 . . . . 0.0 110.07 -178.025 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.681 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 3.2 mp0 -78.98 114.16 17.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 169.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.2 mm? -49.98 132.24 22.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.517 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.454 ' HD3' ' HB3' ' A' ' 76' ' ' ASP . 44.0 ttt180 -91.28 99.56 12.52 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.771 HG12 HD11 ' A' ' 73' ' ' LEU . 10.4 t -111.15 125.43 68.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.143 0.497 . . . . 0.0 110.264 -170.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -127.73 139.41 52.7 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.677 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.1 ttt -72.88 117.24 14.35 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.182 0.515 . . . . 0.0 111.021 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -80.66 110.86 16.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.625 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -106.25 134.86 48.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 177.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.517 ' HB3' HG23 ' A' ' 51' ' ' THR . 33.5 ttmt -108.61 135.14 50.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 111.506 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 46.9 tp -100.68 125.34 47.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.02 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.4 mm -103.68 99.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.748 HD23 HD12 ' A' ' 12' ' ' LEU . 4.3 mp -85.35 102.48 13.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.663 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 10.1 t-20 -94.07 51.61 1.53 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.611 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -88.0 166.08 35.13 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.39 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -80.85 -36.66 31.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 0.0 109.872 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -97.26 -48.7 5.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.748 HD12 HD23 ' A' ' 7' ' ' LEU . 2.1 tm? -110.56 103.46 12.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.37 0.605 . . . . 0.0 110.419 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.0 tttm -114.86 113.27 23.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.57 172.93 29.49 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.812 -1.185 . . . . 0.0 113.276 -174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.25 110.22 8.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.7 t -136.42 156.29 48.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.632 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 72.5 p -123.03 166.32 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -151.92 142.15 22.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -80.14 94.68 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.357 0.598 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.78 151.61 23.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.583 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -86.47 -27.44 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.836 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.31 164.84 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.937 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.59 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.65 -33.48 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.716 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -69.49 -41.66 75.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.092 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.27 -50.13 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.514 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 pt-20 -57.59 -33.58 68.34 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.459 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -61.16 -46.13 91.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.24 0.543 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -71.99 -38.27 63.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.444 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.0 m-30 -64.82 -34.91 79.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.116 177.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 96.4 mttt -67.17 -41.54 85.77 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.24 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.9 -42.56 94.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.23 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.422 ' HD1' HD22 ' A' ' 7' ' ' LEU . 25.1 t80 -62.82 -50.66 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.35 -49.61 73.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.399 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -67.07 -35.2 79.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.278 -175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.86 -40.99 88.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -72.97 -34.81 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.36 -19.38 5.68 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.19 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.82 115.78 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.403 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -125.54 109.07 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.26 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.68 -168.61 11.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.859 -173.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 24.3 tp10 -71.47 124.55 24.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -89.75 98.48 11.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.172 0.511 . . . . 0.0 110.883 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -106.99 110.63 22.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.506 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.418 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 34.9 t80 -100.9 137.56 39.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.983 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.15 124.93 49.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.713 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 49' ' ' THR . 10.1 t70 -82.21 177.31 8.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.2 -43.61 0.55 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.698 0.799 . . . . 0.0 110.908 -174.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 47' ' ' ASP . 77.1 p -90.76 -25.36 20.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.625 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.8 mmtt 63.03 46.04 4.95 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.289 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 4' ' ' LYS . 22.3 p -115.33 130.95 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.614 -177.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 49.6 m-85 -102.63 112.77 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.594 173.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.6 m -99.89 112.72 24.97 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 8.6 p -106.17 105.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.692 0.758 . . . . 0.0 109.707 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.663 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 29.5 m -93.79 123.04 36.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.503 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.611 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 14.6 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.262 0.553 . . . . 0.0 111.044 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 122' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 4.4 m -101.06 131.62 46.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.181 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.729 ' HB2' HG21 ' A' ' 117' ' ' VAL . 3.3 mm? -108.45 145.07 35.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.939 177.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.568 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 14.0 tptp -106.27 114.26 28.28 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.098 177.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.68 121.79 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.93 -178.09 4.06 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 54.96 35.32 24.28 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -171.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD12 HG22 ' A' ' 82' ' ' THR . 24.8 tp -89.3 154.96 19.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.597 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.5 p -86.59 155.93 20.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -72.2 -16.03 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.292 0.568 . . . . 0.0 110.233 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.447 ' HD2' ' OD1' ' A' ' 138' ' ' ASP . 5.1 ptp180 -95.47 13.67 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.318 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.444 HG21 HD11 ' A' ' 102' ' ' ILE . 88.6 m -82.78 121.11 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.375 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.846 ' O ' ' HB ' ' A' ' 86' ' ' THR . 18.8 m -97.53 154.5 37.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.671 ' HA ' HD13 ' A' ' 102' ' ' ILE . 50.7 Cg_exo -52.94 -43.52 56.03 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.323 2.015 . . . . 0.0 112.88 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.88 -25.91 66.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.846 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -54.65 -56.89 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.977 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.2 mt -70.4 -30.94 67.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.359 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 84' ' ' PRO . 94.9 mtt180 -55.12 -53.79 51.48 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 89' ' ' ARG . 40.6 ttp-105 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.482 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.672 HG12 ' HE1' ' A' ' 132' ' ' MET . 2.2 t -74.11 -47.78 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.082 0.468 . . . . 0.0 111.244 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.591 ' HE2' HD22 ' A' ' 87' ' ' LEU . 37.9 m-85 -71.12 -36.51 72.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.363 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HA ' HG11 ' A' ' 97' ' ' VAL . 10.4 pt-20 -58.83 -20.53 51.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -67.85 -42.21 81.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.267 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.3 -39.44 20.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.29 -175.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -143.58 166.92 26.76 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.87 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -81.66 86.44 6.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.612 . . . . 0.0 110.521 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -76.6 141.35 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.351 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.66 -35.48 1.4 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.046 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -150.53 119.36 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 111.047 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.87 156.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.801 0.334 . . . . 0.0 110.223 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -136.5 94.54 3.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.038 0.447 . . . . 0.0 110.274 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.671 HD13 ' HA ' ' A' ' 84' ' ' PRO . 23.2 mt . . . . . 0 C--N 1.321 -0.643 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 168.0 28.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.604 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.7 m-85 -126.88 152.32 47.22 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.991 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 73' ' ' LEU . 9.2 m -136.47 137.99 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 71' ' ' THR . 79.2 mtt180 -118.8 128.56 54.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.328 0.585 . . . . 0.0 112.008 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 56.9 m-85 -107.76 170.27 8.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.515 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -54.9 -65.23 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.152 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.5 t70 -130.68 169.16 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.943 -176.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.622 ' HA ' HG22 ' A' ' 71' ' ' THR . 41.7 tttm -61.66 -26.38 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.62 0.248 . . . . 0.0 110.508 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 18.8 ptp180 -59.2 -34.94 72.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.067 0.461 . . . . 0.0 110.517 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 15.3 m-20 -79.29 -31.55 43.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.312 0.577 . . . . 0.0 109.956 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.23 -40.07 46.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.29 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 42.0 mt-10 -70.63 -32.83 70.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 0.0 110.818 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.72 -41.7 97.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB2' ' HD1' ' A' ' 91' ' ' PHE . . . -80.23 -52.86 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.291 -173.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.697 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.47 -33.73 73.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.738 0.304 . . . . 0.0 111.174 -175.289 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.475 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 12.1 t70 -74.81 -45.52 42.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.0 110.502 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.1 59.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.138 -174.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.672 ' HE1' HG12 ' A' ' 90' ' ' VAL . 27.4 tpp -74.55 -18.33 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -175.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.483 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 30.2 t70 -73.42 82.05 1.43 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.726 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 130.98 19.02 1.3 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.44 -170.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.477 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -107.72 114.58 28.64 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 122.502 0.321 . . . . 0.0 111.398 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.914 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.7 t -82.46 94.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.915 0.388 . . . . 0.0 110.216 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.572 HD21 ' O ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -83.94 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.578 0.704 . . . . 0.0 110.532 -178.076 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.5 ' N ' HD13 ' A' ' 137' ' ' LEU . 4.2 t70 -160.68 -71.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.917 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.0 25.53 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.914 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -163.16 165.18 24.81 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.726 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 26.3 mt-10 -96.69 14.48 24.83 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.946 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.563 ' H ' ' HG2' ' A' ' 140' ' ' ARG . 1.9 mm? 51.63 -166.76 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.677 -171.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.483 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 12.1 tpp180 -146.67 93.37 2.28 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 168.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 22.0 t -105.08 115.27 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -129.69 168.35 16.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 53.6 tpp -71.69 122.88 21.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.32 -0.693 0 CA-C-O 121.182 0.515 . . . . 0.0 110.946 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -81.6 112.05 18.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' THR . 49.1 m-85 -100.94 149.06 24.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.235 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 51' ' ' THR . 27.8 ttmt -111.86 136.34 51.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.171 0.51 . . . . 0.0 111.089 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 30' ' ' PHE . 60.3 tp -102.96 123.98 47.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.957 176.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 48.7 mm -104.05 101.85 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.802 HD23 HD13 ' A' ' 12' ' ' LEU . 4.1 mp -89.64 100.12 12.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.858 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.412 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.4 t-20 -97.74 49.49 1.03 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.46 ' HA3' HG23 ' A' ' 39' ' ' VAL . . . -83.07 -170.7 46.47 Favored Glycine 0 N--CA 1.44 -1.055 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.745 -174.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -89.25 -49.18 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.018 0.437 . . . . 0.0 110.434 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 m -104.18 -10.25 18.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.904 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.802 HD13 HD23 ' A' ' 7' ' ' LEU . 1.5 tm? -134.07 118.71 18.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.7 tttm -142.77 96.75 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.162 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.0 28.41 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -123.42 126.06 46.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -139.23 165.01 28.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.364 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 60.2 p -137.1 163.89 29.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.359 . . . . 0.0 111.239 -175.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -154.97 146.54 23.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.694 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.26 99.56 10.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.2 149.59 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.976 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.89 -23.8 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.758 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -154.56 158.26 39.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.408 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.06 84.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.641 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -66.62 -27.28 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.7 m -72.5 -46.93 52.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.872 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.442 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.4 pt-20 -61.58 -34.07 74.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -175.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 28' ' ' LYS . 30.2 mmmt -68.0 -37.96 82.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.361 . . . . 0.0 110.76 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t -72.17 -34.69 50.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.433 0.635 . . . . 0.0 109.823 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 5' ' ' LEU . 22.2 m-30 -66.84 -34.97 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.989 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.03 -35.9 79.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.27 -48.56 81.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.101 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' HD1' HD22 ' A' ' 7' ' ' LEU . 29.4 t80 -60.14 -51.12 70.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.432 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -63.11 -36.49 83.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.33 -36.81 77.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.62 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.2 m-80 -84.05 -8.97 58.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.768 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.44 18.49 52.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.534 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.527 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.7 p -121.42 129.0 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.141 0.496 . . . . 0.0 111.789 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.94 104.51 3.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.98 -151.27 8.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.888 -173.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 39.3 tt0 -70.03 96.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 77.6 m95 -68.85 112.08 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.845 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.41 114.34 16.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.44 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 49.0 t80 -98.75 131.72 44.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.296 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -111.67 116.54 30.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.362 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.44 -20.81 59.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.099 -176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -53.67 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.973 0.416 . . . . 0.0 110.847 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -86.45 -2.21 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.527 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.55 34.11 18.02 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.52 0.512 . . . . 0.0 110.422 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 24.0 p -115.21 143.31 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' HD13 ' A' ' 5' ' ' LEU . 62.8 m-85 -109.34 111.78 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 166.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 59.1 m -103.17 124.81 49.29 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 121.336 -0.146 . . . . 0.0 110.768 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.74 103.45 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 170.64 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 29.5 m -86.55 100.34 12.33 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.055 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -105.9 123.81 48.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.084 0.469 . . . . 0.0 111.513 -173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' A' ' 125' ' ' ALA . 3.3 mm? -93.55 156.23 16.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.802 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.887 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 11.3 tmtt? -127.26 109.85 12.24 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.758 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 2.3 m -100.71 138.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.581 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.49 178.7 6.78 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.12 29.55 17.59 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.785 0.802 . . . . 0.0 109.041 -170.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.531 HD12 HG23 ' A' ' 82' ' ' THR . 19.6 tp -73.8 133.45 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.11 -172.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -70.09 152.85 43.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.05 0.452 . . . . 0.0 111.682 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -82.74 21.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.488 -170.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HD3' ' OD2' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -133.97 9.91 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.147 0.498 . . . . 0.0 110.231 175.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.661 ' HG1' HD22 ' A' ' 137' ' ' LEU . 54.2 m -78.85 112.12 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.13 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.764 ' O ' ' HB ' ' A' ' 86' ' ' THR . 13.8 m -92.53 158.34 38.63 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.329 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -55.84 -43.25 58.98 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.361 2.041 . . . . 0.0 112.139 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.25 -34.43 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 109.89 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.764 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -61.37 -56.55 19.03 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.196 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.61 HD21 ' HE1' ' A' ' 91' ' ' PHE . 15.6 mt -69.24 -37.43 77.97 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.649 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HB2' HG23 ' A' ' 100' ' ' VAL . 39.3 ttp180 -54.91 -51.24 66.65 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -56.76 -41.69 78.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.833 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 86' ' ' THR . 4.9 t -73.68 -49.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.943 0.402 . . . . 0.0 111.096 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.61 ' HE1' HD21 ' A' ' 87' ' ' LEU . 34.7 m-85 -71.31 -27.76 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.732 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.601 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -71.98 -6.93 45.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.95 0.405 . . . . 0.0 110.959 -179.548 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -78.27 -39.6 39.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.112 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.38 -35.4 25.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.836 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.23 175.79 31.54 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -91.41 99.27 12.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.02 0.41 . . . . 0.0 110.813 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.542 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 1.8 m -86.41 143.49 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.788 0.328 . . . . 0.0 110.288 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.79 -32.24 5.44 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.071 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -156.23 128.58 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.646 0.26 . . . . 0.0 110.583 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.548 HG13 HG12 ' A' ' 117' ' ' VAL . 27.2 m -109.94 142.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -138.48 116.23 11.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.511 HG12 ' HB1' ' A' ' 115' ' ' ALA . 27.0 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.871 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 39.7 p90 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.511 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -144.0 156.21 44.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.97 0.414 . . . . 0.0 111.31 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -113.76 142.07 46.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.797 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.548 HG12 HG13 ' A' ' 100' ' ' VAL . 21.2 t -131.82 117.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.122 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -102.54 122.26 44.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.799 0.333 . . . . 0.0 111.552 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.757 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 44.8 m-85 -106.06 167.53 9.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -63.27 -62.91 1.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.661 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.778 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.0 m-20 -119.78 -178.92 3.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.084 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 49.5 tttm -72.34 -28.35 62.99 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.778 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 3.5 ptp180 -56.0 -37.85 69.67 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 176.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.757 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 12.8 m-20 -72.9 -37.3 67.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.954 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.584 ' HB3' HD21 ' A' ' 73' ' ' LEU . . . -74.84 -38.34 62.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.314 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.1 mt-10 -65.28 -46.85 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.216 -177.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.06 -32.36 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.998 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.86 -53.66 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.661 ' HG2' ' HE1' ' A' ' 146' ' ' MET . 0.0 OUTLIER -65.74 -30.08 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.293 . . . . 0.0 111.163 -174.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.559 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 21.8 t70 -73.71 -46.94 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.186 0.517 . . . . 0.0 110.064 177.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.25 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.601 -174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.739 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 57.8 mtp -92.16 1.89 56.93 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -164.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.76 84.2 2.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.627 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.43 27.44 2.85 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.003 -0.998 . . . . 0.0 111.303 -168.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -108.65 140.39 42.09 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 122.22 0.208 . . . . 0.0 111.042 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.699 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.9 t -95.69 111.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.808 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.58 -15.71 44.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.97 0.414 . . . . 0.0 110.24 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.56 ' N ' HD12 ' A' ' 137' ' ' LEU . 28.5 t70 -167.93 -68.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.048 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.35 32.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.844 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.699 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -160.43 138.01 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 122.501 0.32 . . . . 0.0 110.45 -178.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.678 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.9 mp0 -79.3 110.17 14.33 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -65.83 152.4 44.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.195 0.522 . . . . 0.0 111.325 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.504 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 21.1 ttm180 -99.51 94.05 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 75' ' ' VAL . 23.6 t -98.14 110.12 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.028 0.442 . . . . 0.0 110.169 -176.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -117.19 155.79 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.211 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.661 ' HE1' ' HG2' ' A' ' 129' ' ' MET . 14.4 mmt -66.89 117.6 9.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.887 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 121.441 0.638 . . . . 0.0 111.285 -174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.1 mmt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.138 0.494 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -84.32 91.82 7.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 75.4 m-85 -93.07 118.55 31.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.222 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HB3' HG21 ' A' ' 51' ' ' THR . 34.9 ttmt -112.2 136.99 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 63.6 tp -96.79 116.79 29.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -94.69 100.2 10.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.669 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.2 mp -87.54 99.5 12.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.314 -178.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -97.41 72.84 2.4 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.375 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.08 177.23 33.75 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 119.5 -1.333 . . . . 0.0 112.138 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -64.74 -42.07 95.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.019 0.437 . . . . 0.0 109.959 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -120.23 -41.23 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.764 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 1.9 tm? -85.08 114.98 22.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.054 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.669 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.8 tttm -134.59 112.3 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.182 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.35 167.43 29.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.457 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 27.0 mt-10 -140.98 99.59 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -137.08 147.51 46.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.099 0.476 . . . . 0.0 111.838 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.548 HG21 ' HB2' ' A' ' 4' ' ' LYS . 71.5 p -100.45 163.74 12.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.666 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -135.03 0.65 2.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.811 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' MET . 47.3 mt-10 36.41 73.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.876 -173.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . . . -86.08 153.17 22.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.113 -175.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -73.91 -30.84 29.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.058 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -134.66 162.72 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.932 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.48 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.03 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.4 m -70.29 -39.03 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.056 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . . . -62.78 -51.24 67.86 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.564 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 9.6 pt-20 -61.15 -39.11 88.85 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.811 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -54.79 -44.44 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.044 0.449 . . . . 0.0 111.471 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.25 -35.64 63.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.379 0.609 . . . . 0.0 110.42 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.1 m-30 -68.89 -30.95 69.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.318 177.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.44 -47.22 87.03 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.065 172.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -65.54 -30.14 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.596 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.62 -55.33 6.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.325 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.27 89.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.513 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.37 -39.51 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.605 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.71 -38.24 70.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.954 0.407 . . . . 0.0 110.828 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.764 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 31.1 m-80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.51 11.03 26.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.533 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.4 129.73 62.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.157 0.504 . . . . 0.0 111.411 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -136.54 86.93 2.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.238 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.61 -172.13 31.92 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.793 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.9 107.05 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.72 116.13 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 111.307 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -134.37 149.2 50.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.462 ' HH ' ' HE2' ' A' ' 3' ' ' TYR . 61.0 t80 -130.65 133.92 46.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.847 0.356 . . . . 0.0 110.689 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -97.06 115.62 27.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.671 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.027 0.441 . . . . 0.0 110.689 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.9 -68.11 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.208 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -82.99 -1.25 52.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 46.8 mmtm 61.5 32.53 18.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.325 0.583 . . . . 0.0 110.129 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 4' ' ' LYS . 7.7 p -108.26 139.63 42.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.023 -174.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -101.16 145.03 29.32 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -138.04 124.18 20.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.567 0.222 . . . . 0.0 110.8 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 m -99.08 108.62 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.745 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.8 m -91.82 98.23 11.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.381 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 119' ' ' PHE . 11.1 m . . . . . 0 N--CA 1.448 -0.57 0 CA-C-O 121.245 0.545 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 m -87.11 153.31 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.584 ' CD2' ' HB3' ' A' ' 129' ' ' MET . 10.4 mt -100.54 153.16 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.865 174.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -109.87 113.42 26.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.923 172.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.589 ' HB ' HG22 ' A' ' 144' ' ' VAL . 1.3 m -99.36 127.19 52.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -129.46 179.42 5.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 62.84 23.04 13.76 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -171.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 82' ' ' THR . 19.4 tp -68.55 124.19 22.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.608 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -115.79 79.08 1.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -168.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.525 ' C ' ' HD2' ' A' ' 81' ' ' ARG . 3.6 m-85 60.91 170.14 0.1 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.174 171.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.525 ' HD2' ' C ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER 45.19 11.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 170.005 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 HD11 ' A' ' 78' ' ' LEU . 13.8 m -80.21 109.34 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.663 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.78 ' O ' ' HB ' ' A' ' 86' ' ' THR . 6.0 t -84.02 147.02 50.05 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.96 -57.31 2.44 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.439 2.76 . . . . 0.0 113.74 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.73 -23.22 67.07 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.624 0.25 . . . . 0.0 111.267 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -54.58 -50.7 67.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.894 174.088 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 22.9 mt -70.49 -43.71 69.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.739 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 -38.82 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.727 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.28 -45.46 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.318 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.646 HG11 ' HE2' ' A' ' 132' ' ' MET . 2.8 t -73.67 -42.99 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -176.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.655 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 61.4 m-85 -69.79 -34.89 74.34 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' CA ' HG12 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -65.7 -16.83 64.13 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.007 0.432 . . . . 0.0 111.463 -176.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.33 -41.01 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.295 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.499 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 83.3 m-85 -84.46 -43.69 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.609 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -147.95 179.94 24.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.364 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -79.49 92.67 5.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.452 0.167 . . . . 0.0 111.053 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.409 HG12 ' CA ' ' A' ' 92' ' ' GLU . 7.4 p -94.14 131.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.126 0.488 . . . . 0.0 109.782 173.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.52 -53.88 1.04 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.639 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.12 143.44 50.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.667 0.27 . . . . 0.0 110.67 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.485 HG12 HG12 ' A' ' 117' ' ' VAL . 13.2 m -129.59 142.93 42.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -135.9 122.68 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.513 HG12 ' HB2' ' A' ' 115' ' ' ALA . 59.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.65 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.0 p90 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.513 ' HB2' HG12 ' A' ' 102' ' ' ILE . . . -138.37 161.42 36.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 111.449 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -122.69 140.57 52.72 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.738 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 73' ' ' LEU . 5.9 m -134.09 122.56 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.485 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -93.83 116.12 28.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.276 -172.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 71' ' ' THR . 49.2 m-85 -98.33 168.46 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 111.404 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -64.06 -62.32 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.996 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.611 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 34.7 t70 -137.22 172.14 13.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.862 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 51.6 tttm -55.68 -34.3 64.91 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.304 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.611 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.9 ptp180 -57.0 -35.55 69.34 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.003 0.43 . . . . 0.0 111.177 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.35 -36.75 45.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.477 0.656 . . . . 0.0 109.819 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.37 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.321 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 51.8 mt-10 -64.25 -49.91 70.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.697 0.284 . . . . 0.0 110.534 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 1.7 t70 -53.96 -39.02 65.59 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.848 0.832 . . . . 0.0 109.525 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.514 ' HB1' HD12 ' A' ' 73' ' ' LEU . . . -80.31 -51.58 8.72 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.285 -174.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.698 ' HG2' ' HE3' ' A' ' 146' ' ' MET . 0.0 OUTLIER -64.27 -29.63 70.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 -174.113 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.499 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 10.2 t70 -74.34 -48.89 25.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.517 . . . . 0.0 110.193 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.37 -48.51 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.523 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.655 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 30.6 tpp -69.25 -20.21 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.454 -172.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.82 84.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.631 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 131.3 9.38 2.67 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.855 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.68 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.12 127.5 38.7 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 122.966 -0.138 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 15.0 t -98.25 98.32 7.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.416 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.557 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -79.49 -18.01 52.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -177.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.557 ' N ' HD13 ' A' ' 137' ' ' LEU . 31.3 t70 -153.09 -70.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -147.56 28.94 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.56 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.633 ' HD3' ' HB3' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -160.64 133.87 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.783 0.433 . . . . 0.0 110.184 -178.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.68 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.6 mp0 -69.58 115.72 9.15 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -59.73 136.34 57.97 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.93 90.51 7.92 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.589 HG22 ' HB ' ' A' ' 75' ' ' VAL . 24.4 t -102.13 131.58 49.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.196 -170.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -131.24 176.72 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.331 -171.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.698 ' HE3' ' HG2' ' A' ' 129' ' ' MET . 16.1 mmt -80.29 117.66 21.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.003 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 110.817 -178.658 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -85.39 103.9 14.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -97.42 137.25 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.607 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.673 ' HB3' HG23 ' A' ' 51' ' ' THR . 34.7 ttmt -110.87 142.97 42.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.53 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 30' ' ' PHE . 60.1 tp -110.52 120.99 44.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.247 175.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.95 99.67 9.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 5.0 mp -80.41 99.6 8.05 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -96.04 33.05 1.78 Allowed 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -74.2 162.28 54.14 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.237 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -87.01 -25.08 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.063 0.458 . . . . 0.0 109.895 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -92.3 -13.68 29.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.089 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.612 HD21 HD23 ' A' ' 7' ' ' LEU . 19.3 tp -164.93 121.93 1.54 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.197 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.5 tttm -114.7 115.05 26.47 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 171.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.92 157.27 27.2 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.163 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -127.57 106.09 8.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -133.42 163.35 29.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.506 0.193 . . . . 0.0 110.755 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 4' ' ' LYS . 67.2 p -124.1 169.2 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.628 0.251 . . . . 0.0 111.171 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -149.1 151.88 35.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.077 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.3 97.89 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.27 137.8 47.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.233 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -84.74 -40.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 33.6 m-20 -106.24 157.44 17.58 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -38.7 81.74 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.93 -38.56 91.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.784 175.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.493 ' OG1' ' HB2' ' A' ' 22' ' ' ASP . 26.3 m -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 110.404 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.21 -49.77 58.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.246 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 10.2 pt-20 -64.36 -26.45 68.48 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.46 -176.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.21 -50.7 72.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.324 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.3 -40.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.568 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HB3' HD21 ' A' ' 5' ' ' LEU . 23.2 m-30 -64.36 -31.58 72.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.261 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -72.49 -35.02 68.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.97 -48.34 74.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HD1' HD22 ' A' ' 7' ' ' LEU . 29.5 t80 -60.65 -47.95 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.15 -49.49 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.407 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.44 -38.99 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.601 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -86.13 -12.29 50.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.14 24.55 24.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.966 170.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG23 ' HA3' ' A' ' 9' ' ' GLY . 2.9 p -109.97 136.78 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.106 0.479 . . . . 0.0 111.165 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.26 141.03 34.0 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.28 -163.94 17.19 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 119.566 -1.302 . . . . 0.0 112.859 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.52 98.92 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.376 -0.412 . . . . 0.0 109.961 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -68.7 100.04 1.09 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.216 0.531 . . . . 0.0 110.498 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.92 112.68 21.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.58 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 29.6 t80 -100.44 128.31 46.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -97.57 115.76 28.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.4 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 3.5 p-10 -77.92 -14.1 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.47 -174.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.32 -58.05 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -93.07 0.04 57.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.575 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 61.26 45.23 9.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.673 HG23 ' HB3' ' A' ' 4' ' ' LYS . 28.7 p -119.55 125.99 50.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.853 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.441 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 64.6 m-85 -90.63 145.25 24.99 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -136.06 122.66 20.91 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.85 104.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 172.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -89.06 100.27 13.08 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.784 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 45.6 tt0 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.148 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.447 -0.609 0 CA-C-O 120.835 0.35 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 11.8 m -105.17 146.67 28.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.535 -176.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.787 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.6 mm? -113.25 146.9 38.57 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -112.8 117.03 31.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.119 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -103.0 129.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 173.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -130.84 170.37 14.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.188 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.1 m120 65.67 24.49 11.59 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -172.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.5 HD12 HG21 ' A' ' 82' ' ' THR . 35.5 tp -68.74 141.78 55.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.363 -172.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -67.7 142.37 56.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -77.33 14.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.83 12.33 6.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.966 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.512 ' HG1' HD21 ' A' ' 137' ' ' LEU . 85.0 m -70.03 128.43 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.29 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.723 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.6 m -99.85 152.32 37.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.647 ' HA ' HD11 ' A' ' 102' ' ' ILE . 52.8 Cg_exo -52.06 -45.39 39.22 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.092 2.528 . . . . 0.0 113.158 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.453 . . . . 0.0 110.02 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.723 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -52.47 -54.52 31.3 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.07 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 25.7 mt -75.36 -43.37 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.34 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -55.51 -42.96 75.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.452 ' HE ' ' HB3' ' A' ' 89' ' ' ARG . 8.3 ttp180 -51.29 -46.28 62.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.738 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 86' ' ' THR . 3.6 t -74.71 -49.89 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.33 . . . . 0.0 111.166 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' A' ' 87' ' ' LEU . 68.5 m-85 -63.75 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 -68.62 -7.33 32.02 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 111.595 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -75.99 -43.28 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.257 0.551 . . . . 0.0 109.786 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -83.24 -36.53 24.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.074 -173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.667 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -149.86 175.67 28.88 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.965 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -85.38 100.81 12.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.092 0.472 . . . . 0.0 110.81 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.7 p -96.44 134.33 34.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.263 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.4 -36.32 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.207 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -146.03 156.66 43.63 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.616 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 3.4 m -123.13 -55.91 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.188 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.9 t80 67.93 89.92 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.456 0.646 . . . . 0.0 110.808 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.719 HG12 ' HB3' ' A' ' 115' ' ' ALA . 43.3 mt . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.608 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 CA--C 1.518 -0.274 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.719 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -145.0 154.53 42.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.924 0.392 . . . . 0.0 111.157 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.42 164.6 13.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.472 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.787 HG23 ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -144.99 135.5 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 171.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -118.62 113.77 21.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 110.975 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.486 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 72.0 m-85 -99.31 168.21 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -67.28 -44.09 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 110.725 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.66 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.9 t70 -148.28 170.64 17.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.389 -177.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 61.7 tttp -59.2 -28.05 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.66 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 13.5 ptm180 -50.75 -46.79 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.679 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.667 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.5 m-20 -79.39 -26.76 41.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.598 ' HB3' HD21 ' A' ' 73' ' ' LEU . . . -80.36 -35.61 35.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.007 -174.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.554 ' O ' ' HE1' ' A' ' 129' ' ' MET . 34.4 mm-40 -63.37 -48.19 78.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.4 -37.28 80.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.411 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -72.4 -53.13 13.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.869 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.554 ' HE1' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -64.48 -33.39 75.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.878 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.68 -42.79 73.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.77 -53.09 11.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.472 -173.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.654 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 62.3 mtp -89.46 -0.81 57.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.12 88.37 2.44 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.466 ' C ' ' HB3' ' A' ' 141' ' ' GLU . . . 111.63 38.05 1.5 Allowed Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.837 -168.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.654 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -125.41 114.32 18.69 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 122.549 0.339 . . . . 0.0 110.963 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.719 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 0.1 OUTLIER -82.54 124.68 39.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.089 0.471 . . . . 0.0 111.933 -177.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.93 -13.5 21.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.416 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.531 ' N ' HD13 ' A' ' 137' ' ' LEU . 23.2 t70 -160.92 -75.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.327 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -133.11 14.17 4.9 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.888 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.719 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 16.2 tpp180 -145.4 128.52 16.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.819 -0.191 . . . . 0.0 110.545 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.572 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 2.5 mp0 -71.81 104.73 3.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 167.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 137' ' ' LEU . 1.2 mm? -53.41 143.95 17.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.137 0.494 . . . . 0.0 111.96 -174.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 1.9 mmp_? -96.71 100.28 11.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 170.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 47.7 t -103.14 108.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.49 -174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -113.14 147.91 36.41 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.139 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.54 ' HE2' ' HB2' ' A' ' 125' ' ' ALA . 5.2 tpt -63.75 117.73 7.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.381 . . . . 0.0 111.428 -173.796 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.559 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 46.8 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.645 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 28.4 tt0 -76.57 110.47 11.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -96.82 138.45 34.35 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HB3' HG21 ' A' ' 51' ' ' THR . 24.4 ttmt -107.39 141.34 38.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.06 0.457 . . . . 0.0 111.707 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 30' ' ' PHE . 53.5 tp -108.01 124.4 50.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.889 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.6 mm -100.85 106.7 19.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.834 HD21 HD11 ' A' ' 12' ' ' LEU . 5.0 mp -87.76 119.56 28.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.119 0.485 . . . . 0.0 110.157 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -116.41 47.89 1.35 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.755 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -77.66 179.72 50.64 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.615 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 42.0 mmtm -68.24 -46.93 69.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 109.978 176.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 m -105.92 -44.94 4.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.834 HD11 HD21 ' A' ' 7' ' ' LEU . 1.5 tm? -95.04 106.66 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.624 -174.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 53.0 mtpt -128.26 97.47 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.868 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.57 -176.02 22.39 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.2 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -109.9 153.27 24.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 t -163.52 158.35 20.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.49 HG22 ' HB2' ' A' ' 4' ' ' LYS . 73.4 p -140.07 159.22 42.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.334 0.587 . . . . 0.0 111.451 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.486 HG21 ' CE1' ' A' ' 30' ' ' PHE . 13.7 t -146.83 129.07 15.71 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.817 169.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 44.6 mt-10 -77.23 96.02 4.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.559 0.695 . . . . 0.0 109.458 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB3' ' HB ' ' A' ' 25' ' ' THR . . . -107.64 146.02 32.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.556 -173.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 m -75.91 -31.14 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 9.0 m-20 -129.21 159.88 34.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.822 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.12 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.032 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.42 -41.52 94.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.644 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.588 ' HB ' ' HB3' ' A' ' 20' ' ' ALA . 8.7 m -57.77 -44.41 86.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.373 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.77 63.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.735 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.83 -35.7 75.26 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.956 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 32.3 mmmt -62.31 -39.17 92.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 25' ' ' THR . 28.2 t -73.67 -38.0 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.334 0.588 . . . . 0.0 110.379 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.492 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.3 m-30 -67.51 -30.86 70.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.124 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.3 mttt -72.83 -34.2 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.886 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -61.39 -46.88 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.88 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HD2' HD23 ' A' ' 7' ' ' LEU . 8.7 t80 -63.13 -46.92 85.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.221 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.98 75.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.543 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -64.1 -35.74 81.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.48 -32.65 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.468 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.8 m-80 -88.74 -12.28 42.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.756 0.313 . . . . 0.0 111.261 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 31.88 12.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.33 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.497 HG11 HD22 ' A' ' 7' ' ' LEU . 3.7 p -119.44 128.39 75.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.169 0.509 . . . . 0.0 110.957 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -128.61 84.94 2.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.71 -179.41 22.87 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.272 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.69 113.12 8.39 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -71.56 117.15 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 p -127.54 114.12 17.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.306 173.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -99.31 125.17 44.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.1 0.476 . . . . 0.0 110.32 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.56 115.41 30.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.41 -37.41 71.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.07 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 111.533 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -104.22 -5.28 22.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.647 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.0 mmtm 58.47 39.21 25.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.367 0.603 . . . . 0.0 110.503 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 4' ' ' LYS . 13.4 p -113.95 136.08 53.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.861 -175.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.2 m-85 -102.62 128.7 49.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.405 173.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 m -116.87 124.53 49.7 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.512 0.196 . . . . 0.0 110.64 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.43 104.57 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 172.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 m -86.49 96.85 10.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.892 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.755 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 9.4 tp10 . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.8 m -95.39 133.69 39.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.41 0.624 . . . . 0.0 112.526 -172.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.567 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -106.08 152.99 22.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.596 169.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.596 ' HD3' ' HB2' ' A' ' 114' ' ' PHE . 1.2 tmmt? -125.67 111.35 14.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG11 HG21 ' A' ' 144' ' ' VAL . 1.5 m -86.26 138.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.636 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 11.6 t70 -130.51 173.15 11.13 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 58.85 25.76 14.0 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.726 0.774 . . . . 0.0 109.565 -173.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.445 HD13 HD13 ' A' ' 142' ' ' LEU . 44.4 tp -80.95 148.95 29.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.198 -173.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 138' ' ' ASP . 3.8 p -73.59 156.39 38.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.167 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -78.58 -22.59 46.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.316 0.579 . . . . 0.0 110.071 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HD3' ' OD1' ' A' ' 138' ' ' ASP . 13.5 ptm180 -83.42 6.13 21.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.78 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.461 HG21 HD11 ' A' ' 102' ' ' ILE . 14.8 m -70.28 119.95 15.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.745 0.307 . . . . 0.0 111.401 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.805 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.4 m -94.0 152.52 40.53 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.09 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.498 ' HA ' HD13 ' A' ' 102' ' ' ILE . 9.7 Cg_endo -53.79 -45.91 37.58 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.004 2.469 . . . . 0.0 113.061 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.61 -25.46 63.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.805 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.9 m -54.66 -52.13 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.215 177.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.543 HD23 ' HE1' ' A' ' 91' ' ' PHE . 15.3 mt -71.36 -43.68 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.075 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -55.92 -44.93 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.517 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -53.81 -42.86 68.86 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.564 0.54 . . . . 0.0 111.571 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 86' ' ' THR . 4.6 t -74.21 -53.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.008 0.433 . . . . 0.0 110.987 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.543 ' HE1' HD23 ' A' ' 87' ' ' LEU . 50.6 m-85 -64.96 -31.98 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -7.51 40.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.696 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -75.45 -34.39 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.22 0.534 . . . . 0.0 109.844 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -83.05 -36.55 24.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.744 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -166.49 -170.69 31.71 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.218 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -82.9 98.89 9.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.738 0.304 . . . . 0.0 111.173 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.9 p -94.17 127.04 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.21 -22.07 7.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.326 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.3 119.25 7.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.135 0.467 . . . . 0.0 111.54 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.447 HG12 HG11 ' A' ' 117' ' ' VAL . 29.7 m -115.65 146.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.065 0.46 . . . . 0.0 110.529 174.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.518 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 90.7 t80 -135.54 112.17 10.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 84' ' ' PRO . 47.0 mt . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.97 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.596 ' HB2' ' HD3' ' A' ' 74' ' ' LYS . 52.6 p90 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 102' ' ' ILE . . . -145.75 163.5 34.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.518 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 61.5 m-85 -115.13 140.97 48.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.024 0.44 . . . . 0.0 110.725 -178.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.447 HG11 HG12 ' A' ' 100' ' ' VAL . 27.3 t -135.47 120.88 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.22 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -110.64 121.08 44.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.596 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.8 m-85 -101.71 168.22 9.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.502 176.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -62.53 -53.47 54.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.774 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 32.3 t70 -132.13 168.72 17.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.957 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 55.2 tttp -60.48 -27.71 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.104 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.774 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.0 ptt180 -55.39 -41.7 73.01 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.011 0.434 . . . . 0.0 110.648 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.626 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 12.6 m-20 -78.86 -28.21 44.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.353 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.95 -38.65 36.59 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.32 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.56 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 43.7 mt-10 -64.58 -42.73 95.43 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 110.226 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.45 -42.15 77.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.89 -54.17 5.82 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.238 -173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.877 ' HG2' ' HE1' ' A' ' 146' ' ' MET . 0.0 OUTLIER -55.87 -38.58 70.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -174.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.765 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 15.8 t70 -72.05 -49.1 39.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.033 0.444 . . . . 0.0 110.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.4 62.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.291 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.799 ' HB3' HG23 ' A' ' 144' ' ' VAL . 86.4 mmm -87.27 -7.45 57.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.355 -176.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 13.46 0.71 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 122.781 1.276 . . . . 0.0 110.093 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.618 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . -161.22 34.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.655 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.606 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.62 130.37 52.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.668 0.27 . . . . 0.0 111.21 -176.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.842 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 10.0 t -96.88 102.87 14.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.659 0.266 . . . . 0.0 110.334 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.671 ' HB3' HD22 ' A' ' 142' ' ' LEU . 0.8 OUTLIER -89.58 -10.45 46.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.18 0.514 . . . . 0.0 110.348 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.439 ' HB3' HG22 ' A' ' 79' ' ' THR . 19.2 t70 -155.61 -75.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.765 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.53 15.73 2.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.592 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.842 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -154.89 176.75 12.1 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.618 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 33.4 mt-10 -101.08 117.41 34.97 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.148 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -58.78 138.34 57.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.615 178.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.636 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 20.9 tpp180 -92.92 80.65 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.799 HG23 ' HB3' ' A' ' 132' ' ' MET . 59.0 t -83.15 109.71 17.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.41 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -108.15 153.99 22.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.801 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.877 ' HE1' ' HG2' ' A' ' 129' ' ' MET . 10.9 mmt -67.75 117.69 9.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 170.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -172.4 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 50.9 tpp . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.86 0.362 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.22 96.9 8.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.128 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 44.0 m-85 -82.27 141.55 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -106.19 117.84 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.817 -177.082 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 30' ' ' PHE . 47.6 tp -92.47 122.84 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -102.26 103.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.447 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.659 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 13.2 mt -83.09 124.88 30.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.216 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -136.88 115.12 11.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.914 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.04 -171.51 41.86 Favored Glycine 0 N--CA 1.436 -1.35 0 C-N-CA 118.926 -1.607 . . . . 0.0 113.529 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' HG3' ' OE1' ' A' ' 56' ' ' GLU . 41.8 mtpt -49.08 101.69 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.329 0.652 . . . . 0.0 112.058 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m 64.32 9.72 5.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.31 92.88 3.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.795 -0.566 . . . . 0.0 110.623 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 57.2 mttm -141.88 89.99 2.23 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.568 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.659 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.47 179.49 26.21 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.83 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -128.56 132.38 48.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 t -144.31 170.84 15.22 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 6.0 p -132.36 171.33 13.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.932 0.396 . . . . 0.0 111.025 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -153.41 147.07 25.12 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 172.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -83.03 96.8 8.46 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.37 140.3 52.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.103 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.3 -22.17 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.351 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -144.45 156.26 44.11 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.874 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.76 74.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.511 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -69.55 -46.12 67.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.312 0.577 . . . . 0.0 110.185 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.82 88.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.753 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -62.28 -31.88 72.52 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.731 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -65.41 -36.71 84.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.089 0.471 . . . . 0.0 110.99 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 t -76.22 -41.99 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.18 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' HB3' HD12 ' A' ' 5' ' ' LEU . 23.3 m-30 -61.89 -36.97 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.21 -36.64 83.56 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.47 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -63.05 -47.71 81.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.97 -48.81 80.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -50.35 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.575 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.12 -39.84 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.295 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.73 -36.82 81.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.13 -34.44 59.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.0 8.67 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.163 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -102.98 94.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.836 0.826 . . . . 0.0 110.697 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -101.21 120.03 39.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.489 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.1 -173.11 18.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.209 -174.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -83.18 125.44 31.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -92.58 112.79 24.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.104 0.478 . . . . 0.0 111.731 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.521 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 25.1 p -106.29 144.15 33.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.513 172.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 51' ' ' THR . 60.1 t80 -130.49 131.92 45.38 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.816 0.341 . . . . 0.0 110.679 -177.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.11 115.35 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.735 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -66.38 -30.41 70.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.085 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.73 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.759 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.558 HG22 ' OG1' ' A' ' 51' ' ' THR . 1.6 t -113.5 1.87 15.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.388 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 59.1 40.42 21.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.318 0.58 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 4' ' ' LYS . 18.2 p -106.24 139.74 40.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.125 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.438 ' HD2' ' HE2' ' A' ' 30' ' ' PHE . 48.0 m-85 -113.28 112.55 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.395 171.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.521 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 13.4 m -98.81 118.92 36.65 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -97.25 104.77 16.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 m -95.41 96.85 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.045 -170.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.543 ' OE1' ' HG3' ' A' ' 10' ' ' LYS . 4.1 tm-20 . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 37.6 m -81.3 129.36 34.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -174.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.818 ' HB2' HG21 ' A' ' 117' ' ' VAL . 2.9 mm? -90.25 156.65 18.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.047 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.981 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 9.6 tmtt? -125.62 106.52 9.81 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.574 HG22 ' HB2' ' A' ' 115' ' ' ALA . 1.5 m -94.21 137.09 23.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 5.7 t70 -131.86 -179.12 5.2 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.27 -175.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.514 ' N ' HD21 ' A' ' 77' ' ' ASN . 0.8 OUTLIER 70.04 -66.75 0.26 Allowed 'General case' 0 CA--C 1.52 -0.181 0 O-C-N 124.167 0.917 . . . . 0.0 108.615 -170.074 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.56 ' HG ' ' OG1' ' A' ' 82' ' ' THR . 11.7 tp 58.11 -174.95 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.938 0.774 . . . . 0.0 111.545 170.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 138' ' ' ASP . 21.1 p -108.59 -8.7 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.843 -0.536 . . . . 0.0 110.773 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 69.9 -30.62 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.553 0.741 . . . . 0.0 111.049 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' A' ' 79' ' ' THR . 6.3 ptm180 -84.58 6.01 25.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 173.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.56 ' OG1' ' HG ' ' A' ' 78' ' ' LEU . 5.3 m -62.38 151.0 38.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.431 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 86' ' ' THR . 23.2 t -130.98 143.26 48.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.691 ' HA ' HD11 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -43.63 -51.59 6.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.943 3.095 . . . . 0.0 114.302 -175.596 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.59 -29.96 71.14 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.671 ' O ' HG21 ' A' ' 90' ' ' VAL . 1.1 t -62.54 -39.09 92.49 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.668 0.271 . . . . 0.0 110.41 -176.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 ' HE1' ' A' ' 91' ' ' PHE . 56.9 mt -79.57 -36.55 38.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.67 0.271 . . . . 0.0 110.702 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.616 ' HG2' HG12 ' A' ' 100' ' ' VAL . 20.5 mtm180 -63.28 -29.84 71.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.387 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -71.61 -46.72 58.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.671 HG21 ' O ' ' A' ' 86' ' ' THR . 7.6 t -73.23 -52.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.84 0.352 . . . . 0.0 111.619 -175.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.569 ' HE1' HD23 ' A' ' 87' ' ' LEU . 37.7 m-85 -65.71 -32.34 73.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.549 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -61.98 -21.01 64.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 111.406 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.31 -38.53 89.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.429 0.633 . . . . 0.0 110.033 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -83.63 -43.18 15.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.724 -175.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.552 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -153.8 169.56 32.42 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -75.79 98.54 4.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.27 0.535 . . . . 0.0 110.962 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.464 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 6.0 p -90.88 138.76 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.001 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.76 -46.0 3.27 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.868 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -158.5 174.17 15.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 88' ' ' ARG . 15.5 m -125.79 -28.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.4 t80 69.62 -74.78 0.08 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.568 0.347 . . . . 0.0 110.825 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.791 HG12 ' HB3' ' A' ' 115' ' ' ALA . 38.7 mt . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.73 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 p90 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.791 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -143.29 167.11 22.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.327 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -126.79 161.93 27.04 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.313 176.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.818 HG21 ' HB2' ' A' ' 73' ' ' LEU . 12.7 m -141.1 115.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 170.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 15.8 mtm180 -90.81 106.84 18.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -172.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.684 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 4.9 m-85 -97.24 154.77 17.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -54.97 -58.5 7.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.383 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.668 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 24.0 t70 -136.93 166.67 23.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.468 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -57.5 -30.78 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.712 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.668 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.5 ptt180 -54.45 -41.62 69.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.203 0.525 . . . . 0.0 110.362 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.684 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.1 m-20 -79.04 -38.55 36.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 73' ' ' LEU . . . -68.11 -35.79 78.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.319 -174.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.36 -32.55 68.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.62 -42.0 99.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.757 0.789 . . . . 0.0 109.042 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.04 -52.84 6.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.596 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.642 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -62.01 -35.97 80.15 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 -174.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.31 -42.23 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 110.161 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -53.5 9.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.507 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.618 ' HA ' ' HB1' ' A' ' 135' ' ' ALA . 78.7 mmm -76.87 -4.53 44.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.705 -166.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 25.6 t70 -72.85 81.49 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.713 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 127.82 11.28 3.28 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.772 -170.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.71 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.86 138.7 31.73 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.113 0.165 . . . . 0.0 111.054 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.677 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 9.7 t -102.32 110.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.859 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -90.11 -7.14 54.48 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.091 0.472 . . . . 0.0 110.971 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.554 ' HB3' HG21 ' A' ' 79' ' ' THR . 27.6 t70 -169.07 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.809 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -144.97 28.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -148.82 138.31 21.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.72 0.408 . . . . 0.0 110.253 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.713 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 43.9 mt-10 -83.83 112.1 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -58.57 137.29 57.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.496 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 22.5 mmt180 -90.8 82.0 5.73 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 172.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.476 HG23 HG11 ' A' ' 75' ' ' VAL . 38.5 t -87.92 114.52 26.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.712 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -126.57 148.99 49.68 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.1 ttm -70.6 117.34 12.0 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.981 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 110.6 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 53.76 93.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.294 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 17' ' ' THR . 3.8 m-85 -87.76 147.86 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.557 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.718 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 13.7 tppt? -107.94 127.55 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.899 0.381 . . . . 0.0 110.928 -178.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 30' ' ' PHE . 41.2 tp -97.52 125.27 42.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.946 173.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 15' ' ' GLU . 48.7 mm -106.41 103.2 15.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.5 mp -86.62 99.78 11.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.05 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.687 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.9 t-20 -99.24 48.95 0.95 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -92.3 -163.58 37.9 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.048 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -98.81 127.78 44.83 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m 71.89 -50.0 0.69 Allowed 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.572 0.545 . . . . 0.0 111.252 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 HD21 ' A' ' 7' ' ' LEU . 2.3 tm? -94.87 100.79 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 109.951 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 37.8 mtmm -126.92 107.34 10.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.436 174.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.64 -174.35 21.62 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.392 -0.909 . . . . 0.0 111.527 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.718 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -148.85 141.87 24.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 174.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -158.02 173.46 16.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.248 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 66.7 p -130.93 154.97 47.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.476 0.655 . . . . 0.0 112.418 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.456 HG21 ' CE1' ' A' ' 30' ' ' PHE . 8.8 t -133.55 134.67 43.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.593 170.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.06 72.58 4.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.424 0.631 . . . . 0.0 109.55 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.42 141.39 30.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.902 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.09 -8.71 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 18.4 t70 -150.81 153.57 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.69 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -71.61 -24.42 61.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 32.3 m -71.78 -42.48 67.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 0.0 109.591 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.78 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.354 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 10.7 pt-20 -59.75 -36.33 76.42 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.758 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.85 -33.94 77.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.414 . . . . 0.0 111.169 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.34 -40.95 35.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.272 0.558 . . . . 0.0 110.232 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.623 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.2 m-30 -68.07 -35.83 78.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.192 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -76.19 -21.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.088 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -73.84 -46.24 46.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -60.34 -47.27 86.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.412 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.07 86.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.54 -30.02 69.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 111.002 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -72.7 -45.9 56.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.425 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.57 -27.76 64.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.76 31.62 6.27 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.922 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.2 p -111.68 127.17 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.241 0.544 . . . . 0.0 110.994 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -124.37 114.02 18.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.621 176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -144.56 -176.96 19.03 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.849 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.01 120.9 15.6 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.536 0.334 . . . . 0.0 110.131 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -91.54 105.52 17.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.095 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.427 ' HG1' ' HB ' ' A' ' 53' ' ' THR . 11.3 p -115.88 120.96 40.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.126 174.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -111.21 128.22 55.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.059 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -99.77 121.34 41.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.794 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.33 -24.83 60.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.819 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -49.06 29.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 p -91.46 -7.47 50.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.842 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm 61.7 40.31 13.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.1 0.476 . . . . 0.0 110.498 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.635 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.2 p -113.45 126.89 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.019 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -97.32 112.45 24.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.427 ' HB ' ' HG1' ' A' ' 44' ' ' THR . 19.1 m -101.67 112.24 24.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.94 104.81 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.614 0.721 . . . . 0.0 109.393 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.687 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.2 m -102.49 111.07 23.21 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.526 -173.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.482 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 4.4 tm-20 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.946 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 122' ' ' LYS . 1.1 m . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 121.399 0.619 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.5 m -105.89 149.14 26.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.159 -174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.92 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.2 mm? -115.62 145.66 42.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.218 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -113.59 113.47 25.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 m -96.78 134.02 36.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.25 175.65 8.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.79 24.85 14.74 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.856 0.836 . . . . 0.0 109.279 -172.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.469 HD13 HG21 ' A' ' 82' ' ' THR . 36.9 tp -84.83 158.72 20.58 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.563 -174.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 140' ' ' ARG . 25.5 p -101.06 142.81 31.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.992 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -76.23 78.9 3.02 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.751 0.786 . . . . 0.0 109.801 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -174.94 -25.64 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.393 -1.276 . . . . 0.0 107.794 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.475 HG22 ' CG2' ' A' ' 86' ' ' THR . 67.9 m -62.36 109.42 1.34 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.326 -1.307 . . . . 0.0 110.443 174.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.803 ' O ' ' HB ' ' A' ' 86' ' ' THR . 43.6 m -90.62 158.67 42.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.366 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.638 ' HA ' HD13 ' A' ' 102' ' ' ILE . 66.0 Cg_exo -49.52 -46.98 24.39 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.582 2.188 . . . . 0.0 113.362 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.85 -25.64 67.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.803 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.5 m -59.84 -56.36 22.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.388 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.58 HD22 ' HE2' ' A' ' 91' ' ' PHE . 20.8 mt -69.69 -39.26 77.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.06 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -51.53 -50.54 59.81 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.5 ttp85 -51.62 -47.88 63.49 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.859 0.724 . . . . 0.0 112.119 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 86' ' ' THR . 2.5 t -74.81 -45.0 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.733 0.301 . . . . 0.0 111.626 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.58 ' HE2' HD22 ' A' ' 87' ' ' LEU . 51.9 m-85 -71.67 -35.97 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -16.69 61.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.813 0.34 . . . . 0.0 111.772 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -66.28 -39.96 89.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 110.061 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -83.31 -44.52 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.248 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -148.42 -178.84 23.87 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.119 -1.039 . . . . 0.0 112.953 -177.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -83.72 94.66 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.78 132.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.3 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.82 -16.94 7.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.699 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.433 ' OD2' ' HD3' ' A' ' 118' ' ' ARG . 24.5 t70 -153.37 149.24 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 15.7 m -131.35 -51.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.762 0.315 . . . . 0.0 110.749 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 30.5 t80 59.85 83.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 84' ' ' PRO . 73.8 mt . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.605 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.2 162.09 41.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.349 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 91.6 m-85 -115.48 158.7 22.18 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.73 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.92 HG23 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -142.86 132.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.433 ' HD3' ' OD2' ' A' ' 99' ' ' ASP . 5.5 mpt_? -113.94 111.41 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.106 0.479 . . . . 0.0 111.018 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.692 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.2 m-85 -94.28 168.56 10.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.281 175.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -66.88 -54.44 22.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -134.87 179.47 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.948 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.562 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 53.7 tttp -64.02 -33.09 74.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.169 -177.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -42.12 63.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.692 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 17.1 m-20 -79.06 -32.73 44.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.353 0.597 . . . . 0.0 110.259 -176.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.497 ' HB3' HD21 ' A' ' 73' ' ' LEU . . . -76.55 -38.92 54.25 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.303 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.733 ' HG2' ' HE2' ' A' ' 146' ' ' MET . 32.2 mt-10 -68.92 -42.7 76.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.224 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.54 -36.34 69.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.87 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.6 -53.73 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.244 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.543 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.21 -31.29 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.568 0.223 . . . . 0.0 111.217 -174.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.515 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 15.8 t70 -70.89 -39.03 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.52 -48.4 22.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.57 -177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.735 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 34.8 ttm -89.87 -9.45 48.96 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.63 85.99 0.9 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.72 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 118.0 23.22 3.66 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.515 -169.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.747 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -105.26 143.11 33.89 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 122.779 -0.248 . . . . 0.0 111.026 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.3 t -105.7 102.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.689 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.01 -5.21 53.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.384 0.612 . . . . 0.0 110.223 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.472 ' N ' HD11 ' A' ' 137' ' ' LEU . 21.4 t70 -157.03 -66.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.801 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -158.18 25.83 0.41 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.752 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.851 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -161.86 179.02 8.39 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.747 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 29.5 mt-10 -103.86 111.96 24.72 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.994 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.689 HD23 ' HB3' ' A' ' 137' ' ' LEU . 1.9 mm? -57.99 138.31 56.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.894 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -98.75 85.49 3.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.171 0.51 . . . . 0.0 109.953 176.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 132' ' ' MET . 19.1 t -87.94 108.47 18.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.032 -176.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -113.78 139.88 48.75 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.859 -176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.733 ' HE2' ' HG2' ' A' ' 126' ' ' GLU . 36.7 ttm -72.33 117.61 14.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.836 -170.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -86.43 112.06 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' THR . 9.6 m-85 -101.35 130.36 47.52 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HB3' HG23 ' A' ' 51' ' ' THR . 32.4 ttmt -104.67 130.92 52.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.018 0.437 . . . . 0.0 111.344 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 30' ' ' PHE . 54.0 tp -97.76 123.45 41.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -94.94 101.49 12.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.885 HD23 HD23 ' A' ' 12' ' ' LEU . 4.7 mp -81.64 106.61 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -104.79 37.55 2.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.39 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.431 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -90.66 172.7 37.67 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.344 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -33.44 37.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.559 175.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -79.91 -30.13 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.055 0.455 . . . . 0.0 111.02 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.885 HD23 HD23 ' A' ' 7' ' ' LEU . 17.0 tp -147.77 124.42 11.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.72 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.671 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.2 tttp -126.15 83.9 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.4 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.04 -178.52 24.14 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.016 -1.087 . . . . 0.0 112.475 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.8 mp0 -116.89 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -147.95 156.89 43.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 22.1 p -134.11 163.16 30.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 0.0 112.103 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.4 t -151.42 152.96 33.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.562 174.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.22 94.86 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.0 109.586 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.7 148.53 26.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.059 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.64 -13.35 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.68 155.06 35.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.888 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.27 87.58 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.292 0.37 . . . . 0.0 111.457 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.2 -37.09 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.065 0.459 . . . . 0.0 110.249 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -66.24 -35.32 80.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.188 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -50.78 61.74 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.985 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.3 pt-20 -61.2 -36.7 80.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -51.4 -48.85 62.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.271 0.557 . . . . 0.0 111.189 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.35 -35.18 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.968 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.799 ' HB3' HD21 ' A' ' 5' ' ' LEU . 22.2 m-30 -65.88 -31.65 72.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.119 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 25.7 mtpp -71.47 -29.21 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.357 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -66.32 -48.79 69.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.253 0.549 . . . . 0.0 109.667 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' HD1' HD22 ' A' ' 7' ' ' LEU . 29.0 t80 -62.05 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.486 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -66.27 -41.47 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -67.52 -35.48 79.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.837 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.34 -35.95 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.25 0.547 . . . . 0.0 110.23 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.4 ' CG ' HD22 ' A' ' 12' ' ' LEU . 47.1 m-80 -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.98 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.84 36.37 3.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.324 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.2 p -121.77 94.65 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-O 121.879 0.847 . . . . 0.0 111.624 174.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -103.33 85.03 2.41 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.71 -169.71 31.27 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.06 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -73.48 111.64 8.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -74.62 107.36 6.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.092 0.472 . . . . 0.0 112.002 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.0 p -115.91 143.3 45.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.726 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -126.72 136.05 51.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 0.0 110.988 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -111.17 125.59 53.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.252 175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -86.77 -23.17 25.52 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.598 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.86 77.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.1 p -100.85 -2.8 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.319 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 59.93 39.92 19.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.406 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.637 HG23 ' HB3' ' A' ' 4' ' ' LYS . 35.7 p -110.44 142.35 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.226 0.536 . . . . 0.0 111.752 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -105.89 145.17 31.61 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 m -132.74 120.05 21.14 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.22 103.5 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 121.22 0.534 . . . . 0.0 109.708 173.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -91.36 96.32 10.46 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.623 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 43.1 tt0 . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 122' ' ' LYS . 2.5 p . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.135 0.493 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -105.34 131.62 52.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.636 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.837 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.5 mm? -109.08 145.57 35.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.27 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.701 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 18.5 tptp -111.63 113.36 25.7 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.024 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.93 125.11 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -121.39 176.02 5.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.449 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 44.3 m-80 62.6 19.87 11.61 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 124.019 0.825 . . . . 0.0 109.052 -172.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.562 HD11 HG23 ' A' ' 82' ' ' THR . 26.5 tp -62.86 133.09 54.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.654 -174.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 4.2 p -64.47 147.52 52.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.996 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.07 -33.73 76.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.567 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -93.0 29.21 1.89 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.865 0.364 . . . . 0.0 111.863 -175.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.562 HG23 HD11 ' A' ' 78' ' ' LEU . 17.6 m -83.35 118.02 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.424 176.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.6 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.4 p -93.89 153.67 40.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 122.326 -0.234 . . . . 0.0 110.469 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -51.48 -41.57 59.54 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.002 2.468 . . . . 0.0 112.822 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.32 -36.22 79.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.116 0.484 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.713 ' O ' HG22 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -58.35 -57.95 10.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.3 -177.116 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD21 ' HE2' ' A' ' 91' ' ' PHE . 14.2 mt -64.3 -42.2 96.48 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.172 -175.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -55.9 -51.03 69.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -61.91 -37.64 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.61 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 86' ' ' THR . 13.4 t -73.4 -50.08 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.849 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 25.3 m-85 -65.5 -34.89 79.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.104 -175.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.5 pt-20 -70.57 1.59 5.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -72.01 -45.06 62.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.016 0.436 . . . . 0.0 110.144 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.456 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 70.7 m-85 -84.79 -41.12 16.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.419 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -137.79 -174.17 13.26 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -102.25 94.83 5.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.204 1.002 . . . . 0.0 110.865 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.0 p -88.82 134.57 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.979 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.49 -35.29 1.61 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.449 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.94 110.13 12.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.201 0.501 . . . . 0.0 111.152 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.3 150.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.702 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.05 103.45 4.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.329 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.747 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 36.3 p90 . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -153.84 167.24 30.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.857 177.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.9 m-85 -124.32 146.06 49.04 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.555 178.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.837 HG23 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -133.43 138.71 50.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.389 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 97' ' ' VAL . 26.9 ttm180 -117.12 115.44 25.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.0 112.322 -175.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.699 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 56.8 m-85 -96.53 170.76 8.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.627 175.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -70.64 -73.1 0.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.646 0.26 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.872 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 50.6 m-20 -109.21 179.75 4.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.9 0.381 . . . . 0.0 110.347 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.618 ' HA ' HG22 ' A' ' 71' ' ' THR . 46.0 tttm -67.81 -27.01 66.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.872 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 16.2 ptt180 -54.11 -42.93 69.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.904 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.699 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 14.3 m-20 -74.52 -36.41 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.565 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.56 -38.3 59.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.703 -173.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.475 ' O ' ' HE1' ' A' ' 129' ' ' MET . 38.6 mt-10 -62.98 -48.39 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.051 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 58.5 m-20 -59.83 -31.21 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.538 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.38 -54.44 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.624 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.81 -30.9 71.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 -173.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.474 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 30.5 t70 -74.23 -45.2 49.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.171 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.59 -42.86 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.658 ' HE3' HG11 ' A' ' 90' ' ' VAL . 29.3 tpp -76.59 -17.58 59.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.629 -172.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.21 91.57 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 141' ' ' GLU . . . 117.99 12.23 7.86 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.305 -170.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.73 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -100.68 126.36 47.2 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 122.996 0.519 . . . . 0.0 111.315 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 17.9 t -92.65 103.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.825 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.659 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -81.82 -12.48 58.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.396 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.505 ' N ' HD11 ' A' ' 137' ' ' LEU . 15.9 t70 -162.98 -72.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.324 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -136.38 10.99 4.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.225 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 3.1 tpm_? -146.31 135.89 23.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.886 -0.185 . . . . 0.0 111.077 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.73 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.4 mp0 -68.86 113.91 6.72 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 165.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.659 HD23 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -55.81 144.99 25.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.222 0.534 . . . . 0.0 111.493 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -100.51 91.24 4.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 132' ' ' MET . 21.4 t -104.23 117.44 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -124.85 162.68 23.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.403 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.432 ' HE2' ' HG2' ' A' ' 129' ' ' MET . 17.8 mmt -68.39 116.8 9.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 110.254 174.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.535 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -87.18 102.62 14.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.97 0.414 . . . . 0.0 111.327 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -103.21 140.94 36.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.99 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HB3' HG23 ' A' ' 51' ' ' THR . 26.8 ttmt -118.17 138.08 52.55 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 111.707 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 30' ' ' PHE . 49.7 tp -99.44 119.91 38.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.958 173.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.627 HD13 ' HB3' ' A' ' 15' ' ' GLU . 46.4 mm -98.58 106.89 19.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.813 HD21 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.54 100.49 13.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.206 0.527 . . . . 0.0 110.374 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -98.93 51.51 0.97 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.574 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -80.89 177.04 54.53 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.241 -171.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -59.53 -41.8 90.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 m -124.89 -39.85 2.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.791 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.813 HD12 HD21 ' A' ' 7' ' ' LEU . 1.5 tm? -83.46 105.84 14.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.9 ttmm -120.89 97.12 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.755 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.62 -174.52 21.75 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.764 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.627 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -144.33 135.93 25.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.153 0.501 . . . . 0.0 111.032 174.405 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -138.63 156.13 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.8 p -126.81 152.77 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.098 0.475 . . . . 0.0 111.302 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' CE1' ' A' ' 30' ' ' PHE . 11.5 t -140.44 145.85 37.51 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 172.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -88.62 92.16 9.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.386 0.612 . . . . 0.0 109.695 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . . . -108.57 153.38 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.663 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -90.88 -22.63 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.9 t70 -136.01 151.1 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.39 94.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.439 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.78 -25.5 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.22 0.533 . . . . 0.0 110.278 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 28.3 m -73.81 -43.74 57.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.053 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . . . -63.24 -47.09 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.672 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.8 pt-20 -61.51 -34.23 75.15 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.314 -175.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HD2' ' HD2' ' A' ' 31' ' ' LYS . 26.3 mmmt -63.08 -37.87 88.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.155 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.6 -37.64 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.381 0.61 . . . . 0.0 109.94 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' HB3' HD11 ' A' ' 5' ' ' LEU . 22.3 m-30 -67.42 -30.7 70.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.045 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.34 -32.91 73.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.62 -30.08 70.28 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.646 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.417 ' HD2' HD23 ' A' ' 7' ' ' LEU . 30.1 t80 -80.88 -43.13 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 109.956 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . -64.45 -49.6 70.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.14 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.06 -27.47 68.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.75 -39.94 80.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.563 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -90.25 -14.96 32.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.485 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.23 29.11 11.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.162 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 3.1 p -117.28 122.89 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.192 0.52 . . . . 0.0 111.609 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.96 102.34 6.47 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.59 -170.17 13.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.203 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -68.93 105.8 2.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -68.3 107.26 2.76 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.623 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 110.57 16.04 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.322 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 52.9 t80 -101.88 128.11 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 111.45 -176.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.67 116.04 30.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.288 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.92 -39.82 95.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.925 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.17 -47.8 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.173 -174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 p -93.19 -6.09 48.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 62.92 37.46 12.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.076 0.465 . . . . 0.0 110.356 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 4' ' ' LYS . 36.0 p -110.01 130.53 55.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.894 -175.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' HD13 ' A' ' 5' ' ' LEU . 70.4 m-85 -102.11 112.3 24.91 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 172.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.7 m -103.94 127.7 51.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.456 0.17 . . . . 0.0 110.557 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -98.08 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.414 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 m -87.69 105.15 17.17 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.871 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.574 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.163 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 120.68 0.276 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 m -107.92 133.67 51.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.014 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.995 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -100.92 155.78 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.776 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 23.0 tptp -121.36 105.46 10.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.524 HG11 HG12 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -102.56 127.53 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -124.26 178.89 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.682 0.277 . . . . 0.0 111.177 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 61.68 30.04 18.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.908 -173.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 82' ' ' THR . 27.3 tp -73.1 143.92 47.2 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.207 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.0 p -83.79 152.46 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.725 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -82.34 51.36 1.8 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.258 0.552 . . . . 0.0 110.983 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.82 11.77 0.2 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.938 175.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.544 ' HG1' HD23 ' A' ' 137' ' ' LEU . 20.4 m -91.16 108.18 19.7 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.726 ' O ' ' HB ' ' A' ' 86' ' ' THR . 56.9 m -90.78 157.57 43.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.557 ' HA ' HD12 ' A' ' 102' ' ' ILE . 4.3 Cg_endo -49.76 -44.28 36.89 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.606 2.204 . . . . 0.0 112.76 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.81 -33.23 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.824 0.345 . . . . 0.0 110.308 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.726 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.7 m -54.04 -58.23 8.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.62 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.539 HD21 ' HE2' ' A' ' 91' ' ' PHE . 14.8 mt -70.39 -37.67 74.55 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.758 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -54.86 -44.45 74.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm-85 -69.52 -39.59 77.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.659 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.693 HG21 ' O ' ' A' ' 86' ' ' THR . 3.8 t -74.57 -43.07 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.125 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 117' ' ' VAL . 30.8 m-85 -69.55 -36.9 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -61.42 -19.06 61.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.595 -179.517 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.14 -39.14 89.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 109.894 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.64 -49.02 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.003 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.658 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -141.68 167.61 25.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.401 ' O ' ' HD2' ' A' ' 120' ' ' HIS . 13.2 ttp180 -82.2 101.15 10.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.531 0.681 . . . . 0.0 110.265 -178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 p -87.58 136.8 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.783 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.09 -51.77 1.86 Allowed Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.217 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.5 161.21 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.42 160.04 37.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.147 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.425 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 54.5 t80 -139.45 94.88 2.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.347 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.638 HG12 ' HB2' ' A' ' 115' ' ' ALA . 48.1 mt . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.638 ' HB2' HG12 ' A' ' 102' ' ' ILE . . . -146.5 153.71 40.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 89.8 m-85 -113.66 147.0 38.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.895 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.995 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.8 m -132.02 136.1 57.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -111.88 111.48 22.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.74 0.305 . . . . 0.0 111.47 -171.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 66.3 m-85 -98.33 169.73 9.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.498 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 96' ' ' ARG . 90.4 m-70 -73.65 -51.3 17.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.801 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 8.7 m-20 -127.63 176.05 7.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.035 0.445 . . . . 0.0 110.554 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.428 ' HG3' ' HE2' ' A' ' 146' ' ' MET . 45.1 tttm -70.43 -20.51 62.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.705 177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.801 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 31.0 ptt180 -55.66 -44.61 77.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.761 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.586 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 9.6 m-20 -77.24 -32.16 55.54 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.436 0.636 . . . . 0.0 109.531 -176.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -69.51 -42.98 74.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.043 -176.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.459 ' O ' ' HE2' ' A' ' 129' ' ' MET . 35.2 mt-10 -63.67 -48.7 76.14 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.934 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.89 -30.57 70.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.499 ' HB2' ' HD1' ' A' ' 91' ' ' PHE . . . -80.62 -54.44 5.65 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.597 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.46 -39.87 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.793 -175.148 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.04 -40.31 94.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.67 -50.36 17.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.035 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.83 ' HG3' ' HB2' ' A' ' 135' ' ' ALA . 35.5 ttm -80.25 -11.52 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -172.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.57 84.05 0.28 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.487 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 121.04 11.44 6.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.653 -171.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.83 ' HB2' ' HG3' ' A' ' 132' ' ' MET . . . -101.44 131.62 47.46 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 122.478 0.311 . . . . 0.0 110.772 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.677 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 23.1 t -93.66 113.72 28.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.873 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.63 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.36 -17.46 34.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.239 178.423 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.562 ' N ' HD12 ' A' ' 137' ' ' LEU . 19.3 t70 -159.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.937 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.87 22.07 2.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -145.73 129.91 17.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.27 . . . . 0.0 111.129 -177.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.631 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -73.7 107.58 6.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.63 HD23 ' HB3' ' A' ' 137' ' ' LEU . 2.8 mm? -56.77 146.52 25.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.322 0.582 . . . . 0.0 111.617 -176.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -102.01 85.78 2.75 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.53 HG23 ' HB3' ' A' ' 132' ' ' MET . 19.2 t -95.04 109.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.853 ' HA ' HE21 ' A' ' 145' ' ' GLN . 0.0 OUTLIER -114.09 164.94 13.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.08 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.428 ' HE2' ' HG3' ' A' ' 122' ' ' LYS . 26.8 mtt -82.55 117.32 22.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 174.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.776 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.036 0.445 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -88.19 113.97 24.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.238 0.542 . . . . 0.0 111.414 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 17' ' ' THR . 24.0 m-85 -101.21 143.67 31.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.036 176.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.542 ' HB2' HG21 ' A' ' 17' ' ' THR . 4.5 ttmt -119.52 141.63 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.408 . . . . 0.0 111.57 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -105.05 128.92 53.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.283 174.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' A' ' 15' ' ' GLU . 48.9 mm -109.47 109.73 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.667 HD21 HD21 ' A' ' 12' ' ' LEU . 5.5 mp -87.86 100.47 12.9 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.743 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -86.35 34.88 0.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.529 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -69.02 -29.9 72.27 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.072 -171.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm 69.52 -40.34 0.45 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.309 0.643 . . . . 0.0 111.37 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -61.07 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -147.89 161.5 41.17 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.145 -1.389 . . . . 0.0 108.767 172.356 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -152.87 127.18 9.21 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.99 161.05 28.62 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.791 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.532 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 51.2 mt-10 -120.85 125.77 48.36 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -142.66 157.57 44.55 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.542 HG21 ' HB2' ' A' ' 4' ' ' LYS . 50.8 p -133.24 153.21 51.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.338 0.589 . . . . 0.0 111.765 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -140.79 140.83 34.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.827 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.36 85.72 7.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.708 0.766 . . . . 0.0 109.402 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.57 148.59 23.63 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.134 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.99 -22.5 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.171 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -148.07 155.7 41.77 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.427 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.26 85.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.297 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.15 -26.52 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.621 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 m -72.61 -45.72 57.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.489 0.661 . . . . 0.0 109.885 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.88 86.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.581 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 pt-20 -60.76 -35.27 75.97 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.096 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.27 -36.44 77.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.169 0.509 . . . . 0.0 110.936 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.76 -40.99 40.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.199 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB3' HD23 ' A' ' 5' ' ' LEU . 20.4 m-30 -67.41 -32.65 73.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.6 mttt -68.23 -28.15 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.222 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.88 -46.54 74.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.74 -43.17 99.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.27 96.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.212 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -71.78 -33.18 68.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.795 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.7 -34.88 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.674 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 27.6 m-80 -90.23 -23.8 21.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.267 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.78 25.8 19.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.492 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.587 HG12 HD22 ' A' ' 7' ' ' LEU . 3.1 p -97.82 115.83 38.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.363 0.602 . . . . 0.0 110.93 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.33 79.33 1.24 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.82 -176.54 23.01 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.69 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -86.26 130.31 34.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 62.3 m95 -81.95 119.24 23.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.422 0.63 . . . . 0.0 111.694 -175.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 p -122.6 149.61 43.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.976 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -134.97 135.22 41.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.48 133.57 48.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.96 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.98 -8.36 57.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.65 -59.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.232 -0.293 . . . . 0.0 110.999 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.457 HG21 ' OG1' ' A' ' 51' ' ' THR . 3.8 t -85.1 -5.59 59.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.15 46.47 8.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.41 0.624 . . . . 0.0 109.95 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 4' ' ' LYS . 38.3 p -113.25 144.79 42.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.633 -175.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.12 145.11 31.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.11 172.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 m -137.77 130.85 30.38 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.939 0.399 . . . . 0.0 110.58 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.1 105.55 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.348 0.594 . . . . 0.0 109.494 174.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 m -84.06 104.89 14.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.598 -175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.617 HG22 ' HA ' ' A' ' 122' ' ' LYS . 2.3 m . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -80.89 136.93 36.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.109 -173.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.919 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.4 mm? -104.57 145.2 30.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.999 174.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 2.9 tppp? -106.3 109.45 21.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.666 175.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.432 HG23 HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -101.65 133.7 44.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -137.42 171.63 14.18 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.313 -0.242 . . . . 0.0 110.505 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER 64.12 29.28 14.12 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.928 0.767 . . . . 0.0 109.142 -172.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 HD13 HG22 ' A' ' 75' ' ' VAL . 9.6 tp -64.26 145.42 56.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.311 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.9 p -90.37 166.2 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -56.83 -44.92 82.54 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.302 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' HD3' ' CG ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -88.88 15.1 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.284 -172.58 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.403 HG23 HG21 ' A' ' 86' ' ' THR . 96.5 m -73.68 122.72 22.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.719 0.295 . . . . 0.0 110.531 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.763 ' O ' ' HB ' ' A' ' 86' ' ' THR . 59.3 p -111.86 165.02 13.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 83' ' ' SER . 11.1 Cg_endo -55.86 -36.35 95.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.143 1.895 . . . . 0.0 111.27 174.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.97 -37.16 83.74 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.249 175.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.763 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -51.0 -57.39 8.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.646 178.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.57 HD23 ' HE1' ' A' ' 91' ' ' PHE . 36.0 mt -76.95 -38.54 53.13 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.027 -175.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -55.65 -50.81 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.084 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 86' ' ' THR . 1.8 t -75.22 -53.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.839 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' HE1' HD23 ' A' ' 87' ' ' LEU . 54.3 m-85 -63.55 -39.47 94.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -62.18 -14.67 39.94 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.409 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.792 ' HB2' ' HZ2' ' A' ' 93' ' ' LYS . 4.7 ttmp? -79.58 -28.27 41.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.146 0.498 . . . . 0.0 110.711 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -84.62 -32.65 23.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.46 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -166.28 179.91 40.05 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.499 ' C ' ' HD3' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -80.32 98.33 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.153 0.477 . . . . 0.0 110.264 -178.436 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.428 HG13 ' HA ' ' A' ' 92' ' ' GLU . 7.7 p -91.69 130.39 40.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.535 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.52 -45.9 12.94 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -164.58 158.6 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.4 m -117.88 133.92 63.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.88 0.371 . . . . 0.0 110.086 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -113.75 99.14 7.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.16 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.467 HG12 ' HB2' ' A' ' 115' ' ' ALA . 24.7 mt . . . . . 0 C--N 1.323 -0.572 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.0 p90 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.467 ' HB2' HG12 ' A' ' 102' ' ' ILE . . . -141.36 159.51 42.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.88 175.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -118.82 148.58 42.71 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.162 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.919 HG23 ' HB2' ' A' ' 73' ' ' LEU . 4.0 m -130.25 132.05 65.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.873 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -97.5 110.83 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.227 -174.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 25.4 m-85 -103.09 158.14 16.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.738 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -58.01 -54.25 49.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.285 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.881 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 16.4 t70 -140.61 173.25 11.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.617 ' HA ' HG22 ' A' ' 71' ' ' THR . 76.0 tttt -63.5 -27.9 69.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.881 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.1 ptt180 -51.14 -43.62 61.24 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.553 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.546 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 9.9 m-20 -79.38 -32.98 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.022 -176.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.468 ' HB3' HD22 ' A' ' 73' ' ' LEU . . . -75.74 -33.6 60.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.723 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 129' ' ' MET . 50.7 mt-10 -63.77 -52.27 61.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.829 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.25 -25.75 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.895 0.378 . . . . 0.0 110.668 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.434 ' HB2' ' HD2' ' A' ' 91' ' ' PHE . . . -79.0 -53.05 7.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.62 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.667 ' HG2' ' HE3' ' A' ' 146' ' ' MET . 0.0 OUTLIER -65.25 -39.4 92.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.398 -175.41 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.45 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 23.0 t70 -65.59 -36.53 84.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.33 0.586 . . . . 0.0 110.055 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.72 -49.35 26.05 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.766 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.638 ' HA ' ' HB1' ' A' ' 135' ' ' ALA . 93.4 mmm -84.04 -17.16 41.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.757 -168.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.58 89.82 0.73 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.777 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 110.62 22.29 6.44 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.652 -171.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.653 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.57 135.22 46.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 122.122 0.169 . . . . 0.0 110.884 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 5.5 t -96.01 109.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.013 -176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.17 -13.53 46.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 110.124 177.442 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.487 ' N ' HD11 ' A' ' 137' ' ' LEU . 16.1 t70 -160.49 -76.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.053 -176.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.88 15.26 2.85 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -133.77 129.7 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.783 -0.708 . . . . 0.0 110.101 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.777 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 23.4 mp0 -79.93 105.5 11.26 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 137' ' ' LEU . 2.1 mm? -54.25 142.99 24.32 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.574 0.546 . . . . 0.0 111.398 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -93.78 80.79 4.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.343 174.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 132' ' ' MET . 41.9 t -91.6 109.51 21.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.111 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -118.83 166.06 13.27 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.73 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.667 ' HE3' ' HG2' ' A' ' 129' ' ' MET . 17.0 mmt -69.5 116.95 10.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.048 0.451 . . . . 0.0 109.969 173.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.533 0.682 . . . . 0.0 109.186 176.276 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.084 0.469 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -96.08 105.18 17.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.384 -176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 17' ' ' THR . 25.5 m-85 -94.58 139.56 31.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.321 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.653 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 13.9 tppt? -110.25 129.67 55.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -176.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' A' ' 30' ' ' PHE . 39.1 tp -100.53 124.48 46.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 176.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.483 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.6 mm -104.01 104.0 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.609 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.721 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 3.8 mt -87.5 118.69 27.14 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.502 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.59 36.18 4.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.734 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -75.46 -177.59 41.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.099 -170.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -59.67 -48.65 80.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.013 0.435 . . . . 0.0 110.124 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -107.02 -65.04 1.13 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.097 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 tp -69.36 116.28 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.145 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 32.9 mtmm -128.76 97.06 4.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.153 174.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.721 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.86 169.26 29.34 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.239 -173.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.653 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 2.2 mp0 -129.47 106.33 8.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.434 ' O ' ' HD3' ' A' ' 4' ' ' LYS . 14.5 t -125.79 173.23 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.873 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 21.2 p -131.45 172.17 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.458 . . . . 0.0 111.646 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -159.24 145.4 16.48 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.872 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -79.29 102.89 8.86 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.7 37.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 -175.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -69.08 -26.44 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.449 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -138.36 153.55 48.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.359 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -36.46 73.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.352 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.25 -36.11 78.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 110.144 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.8 m -64.73 -40.33 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.068 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.63 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.2 pt-20 -64.16 -31.38 72.56 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.939 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -60.98 -44.93 96.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.843 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.22 -44.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.38 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HB3' HD12 ' A' ' 5' ' ' LEU . 21.9 m-30 -63.25 -36.35 83.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.033 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -65.01 -44.32 89.59 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.569 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -68.47 -44.94 73.74 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.22 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HE2' HD11 ' A' ' 7' ' ' LEU . 58.5 t80 -60.5 -44.21 96.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -65.46 -53.5 41.88 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.558 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -66.62 -30.21 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.712 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.65 -36.05 78.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.985 0.422 . . . . 0.0 110.67 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -84.71 -44.73 13.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.79 38.87 0.17 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 119.901 -1.143 . . . . 0.0 113.635 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 34' ' ' ALA . 2.8 p -129.76 110.28 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.471 0.653 . . . . 0.0 111.67 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.97 79.26 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.81 -171.62 17.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.108 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 9.8 tp10 -72.94 116.25 13.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.865 0.466 . . . . 0.0 110.155 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -84.95 108.33 17.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -112.93 115.5 28.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.887 0.375 . . . . 0.0 110.135 173.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 50.7 t80 -107.08 134.85 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.055 0.455 . . . . 0.0 111.585 -176.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -107.29 120.63 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.063 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 4.7 p-10 -79.59 -17.39 53.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.79 -42.68 33.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.638 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -96.21 -9.18 31.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.394 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 60.1 42.91 14.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.672 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 4' ' ' LYS . 35.4 p -109.95 123.45 49.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.589 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -97.94 111.96 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.483 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 47.8 m -100.29 114.49 28.01 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.9 104.78 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.932 0.872 . . . . 0.0 109.295 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.408 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 7.2 m -89.64 117.53 28.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.719 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.734 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 6.4 tp10 . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.446 -0.66 0 CA-C-O 121.113 0.483 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 m -99.51 161.71 13.46 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.892 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 1.059 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -112.74 142.47 45.33 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 2.3 tmtp? -118.2 104.33 10.69 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -97.9 126.49 50.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -124.47 175.69 6.97 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.676 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 62.93 19.11 11.37 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -172.481 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.537 HD13 HG22 ' A' ' 82' ' ' THR . 32.4 tp -71.76 145.27 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.489 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.5 p -86.29 155.36 20.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.139 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -83.14 -7.91 59.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.246 0.546 . . . . 0.0 110.18 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -87.15 11.84 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.42 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.537 HG22 HD13 ' A' ' 78' ' ' LEU . 36.4 m -96.09 121.25 37.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.547 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.681 ' O ' ' HB ' ' A' ' 86' ' ' THR . 4.2 m -100.56 154.35 37.23 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.724 ' HA ' HD11 ' A' ' 102' ' ' ILE . 88.8 Cg_exo -44.35 -52.23 6.05 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.508 2.805 . . . . 0.0 114.587 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 41.1 m-20 -60.41 -24.74 65.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.814 0.34 . . . . 0.0 111.384 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.681 ' HB ' ' O ' ' A' ' 83' ' ' SER . 7.9 m -58.48 -57.08 14.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.234 176.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.541 ' HB2' HD13 ' A' ' 102' ' ' ILE . 21.0 mt -70.86 -31.47 68.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.508 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' A' ' 85' ' ' ASP . 77.2 mtt180 -52.95 -55.07 26.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.75 -40.98 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.813 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 86' ' ' THR . 2.7 t -75.14 -47.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.841 0.353 . . . . 0.0 111.381 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 31.8 m-85 -70.86 -36.16 72.7 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -16.45 50.66 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.09 -35.48 64.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -84.93 -26.87 26.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.471 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.717 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -170.57 170.51 43.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.406 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -74.75 98.51 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.15 0.5 . . . . 0.0 110.63 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.538 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.1 p -88.78 134.23 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.871 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 -50.91 4.51 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -158.91 160.9 36.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 84' ' ' PRO . 30.6 m -117.86 -6.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 123.033 0.208 . . . . 0.0 111.509 -176.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 21.6 t80 61.31 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 112.521 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.724 HD11 ' HA ' ' A' ' 84' ' ' PRO . 21.9 mt . . . . . 0 C--N 1.322 -0.604 0 C-N-CA 124.127 0.971 . . . . 0.0 112.294 -176.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.0 p90 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 75' ' ' VAL . . . -136.87 144.62 43.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 127.6 47.91 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 1.059 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -122.84 147.37 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -169.099 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -108.02 116.57 32.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.595 -175.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 5.8 m-30 -102.97 169.43 8.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.147 174.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -76.82 -66.03 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.615 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.847 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.4 m-20 -124.02 172.63 8.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.674 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 57.7 tttp -61.2 -25.8 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.205 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.847 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 19.4 ptt180 -53.66 -40.61 66.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.378 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.717 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 14.9 m-20 -76.19 -42.75 45.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 -175.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -78.82 -31.31 45.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.132 -170.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.674 ' HG2' ' HG2' ' A' ' 122' ' ' LYS . 50.7 mm-40 -59.34 -44.07 92.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.447 0.641 . . . . 0.0 110.734 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -31.51 67.38 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.996 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.8 -53.37 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.623 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -60.89 -31.19 70.69 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.674 0.274 . . . . 0.0 111.361 -174.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.13 -50.29 13.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.478 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.56 -39.26 64.82 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.501 ' HG2' HG22 ' A' ' 144' ' ' VAL . 24.1 ttm -86.25 -7.9 58.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.868 0.366 . . . . 0.0 111.497 -174.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.428 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 15.3 t70 -68.19 92.44 0.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.497 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 114.65 22.34 5.11 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.212 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.605 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -96.12 110.64 22.87 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 122.31 0.244 . . . . 0.0 111.14 177.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 141' ' ' GLU . 21.8 t -78.85 111.83 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.846 0 CA-C-O 122.75 1.262 . . . . 0.0 110.8 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.727 ' HB2' HD21 ' A' ' 142' ' ' LEU . 1.6 tm? -76.15 -35.73 59.08 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 112.514 -2.13 . . . . 0.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -158.2 -62.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.817 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.38 8.28 3.45 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 11.4 tpp180 -140.0 135.36 32.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.475 -0.862 . . . . 0.0 109.891 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.605 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.3 pm0 -85.14 122.18 28.97 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 137' ' ' LEU . 1.2 mm? -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.5 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.428 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 16.0 tpp180 -89.84 79.46 6.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 172.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 132' ' ' MET . 40.3 t -85.92 119.74 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.369 0.604 . . . . 0.0 110.774 -175.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -118.22 169.26 9.85 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.713 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.451 ' HE3' ' HG2' ' A' ' 129' ' ' MET . 42.0 ttm -89.08 116.9 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.048 172.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.275 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mtp . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 18' ' ' THR . 8.4 tt0 -80.84 121.56 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -175.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -112.09 134.69 53.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.092 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.717 ' HE3' HG23 ' A' ' 17' ' ' THR . 1.5 tpmt? -102.53 126.28 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.606 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 52' ' ' PHE . 61.6 tp -103.05 122.96 45.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.081 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.8 mm -111.77 107.74 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.822 HD22 HD23 ' A' ' 12' ' ' LEU . 5.2 mp -87.45 99.25 11.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.161 0.505 . . . . 0.0 110.095 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.622 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 12.4 t-20 -88.46 41.06 0.99 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.688 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -73.44 157.79 52.17 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.294 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -89.82 -23.08 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 171.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -77.53 -51.09 11.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.88 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.822 HD23 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.18 161.83 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.655 177.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.661 ' HZ3' ' HB2' ' A' ' 13' ' ' LYS . 4.7 ttmp? -150.09 101.91 3.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 110.459 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 -176.26 22.93 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.778 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -110.88 161.32 15.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.978 0.418 . . . . 0.0 110.734 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.428 HG21 ' HB3' ' A' ' 5' ' ' LEU . 9.2 t -167.11 143.13 4.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.249 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.717 HG23 ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -132.56 164.09 27.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -177.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 13.4 t -153.43 141.11 19.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.59 79.58 9.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . . . -89.68 144.03 26.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.698 -171.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.6 m -79.76 -31.22 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.073 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -137.47 149.3 46.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.112 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.87 87.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.57 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -73.02 -27.45 61.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.171 0.51 . . . . 0.0 109.944 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 29' ' ' VAL . 79.3 m -69.8 -45.17 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.787 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' ' CB ' ' A' ' 20' ' ' ALA . . . -61.65 -50.77 71.17 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.361 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.727 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 11.1 pt-20 -62.33 -30.66 71.32 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.188 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.1 -35.54 80.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.289 0.566 . . . . 0.0 110.667 -178.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 25' ' ' THR . 25.6 t -75.61 -33.47 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.583 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.52 -33.22 74.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.791 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.727 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptp? -58.05 -43.78 87.06 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.27 172.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.48 -45.57 92.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.514 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.405 ' HD2' HD21 ' A' ' 7' ' ' LEU . 15.5 t80 -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.88 -40.22 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -69.06 -36.9 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.203 0.525 . . . . 0.0 110.684 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.732 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 22.8 m-80 -82.99 -19.81 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.194 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.63 38.07 9.98 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.044 -0.598 . . . . 0.0 113.405 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG11 HD23 ' A' ' 7' ' ' LEU . 6.3 p -108.88 134.91 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.076 0.465 . . . . 0.0 110.643 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -132.65 107.45 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.44 -177.37 20.15 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.425 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.66 109.85 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ2' ' HD2' ' A' ' 31' ' ' LYS . 63.4 m95 -70.12 99.51 1.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.263 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.17 109.63 19.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.257 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 51' ' ' THR . 45.7 t80 -106.92 121.64 44.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.95 0.405 . . . . 0.0 110.704 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD2' HG21 ' A' ' 49' ' ' THR . 25.2 t70 -105.1 115.7 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.21 -32.12 73.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.27 -173.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.97 85.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.783 0.325 . . . . 0.0 111.642 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.463 HG21 ' OD2' ' A' ' 46' ' ' ASP . 4.0 t -106.25 -1.96 22.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.159 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm 60.36 37.17 20.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 40.5 p -103.38 123.69 47.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.062 0.458 . . . . 0.0 112.155 -175.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 5' ' ' LEU . 67.4 m-85 -94.38 111.97 23.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 166.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 m -113.87 122.61 47.56 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -97.53 103.54 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 174.267 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.622 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.2 m -87.07 96.52 10.32 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.676 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.688 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 41.9 tt0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.081 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.448 -0.554 0 CA-C-O 121.276 0.56 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -96.29 149.28 21.86 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.856 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.988 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.8 mm? -111.64 141.47 45.2 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.942 0.401 . . . . 0.0 110.943 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -104.97 104.78 14.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -93.88 126.13 46.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.275 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -112.91 158.35 20.32 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.513 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 61.96 75.88 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.748 0.655 . . . . 0.0 110.17 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 137' ' ' LEU . 1.3 mt -100.31 -172.73 2.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.997 0.903 . . . . 0.0 111.945 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.8 p -119.88 160.14 23.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.729 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -72.63 -3.05 22.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 0.0 111.985 -171.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 34.34 5.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.142 0.496 . . . . 0.0 111.281 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.539 ' OG1' HD23 ' A' ' 78' ' ' LEU . 27.3 m -109.37 100.09 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.172 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.644 ' O ' ' HB ' ' A' ' 86' ' ' THR . 14.8 m -95.75 160.25 30.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.621 ' HA ' HD13 ' A' ' 102' ' ' ILE . 2.2 Cg_endo -43.65 -48.16 8.98 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.324 2.683 . . . . 0.0 114.034 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.39 -21.67 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.55 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.644 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.9 m -64.33 -58.07 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 177.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.701 ' HB2' HD12 ' A' ' 102' ' ' ILE . 16.2 mt -71.4 -28.25 63.88 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.588 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.562 ' HB2' HG21 ' A' ' 100' ' ' VAL . 18.3 ttt180 -56.95 -42.04 79.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.66 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 30.2 ttp180 -75.16 -39.23 60.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.348 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 86' ' ' THR . 20.4 t -73.72 -45.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.808 -175.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.604 ' HE1' HD22 ' A' ' 87' ' ' LEU . 33.6 m-85 -74.44 -27.34 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -174.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.0 pt-20 -65.01 -13.75 58.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 111.008 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -62.46 -48.49 79.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.832 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -83.78 -38.93 20.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.786 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -149.38 171.91 29.48 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.794 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -80.83 97.77 7.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.354 0.597 . . . . 0.0 111.134 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.615 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 2.5 p -85.37 120.31 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.797 174.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.05 -28.7 30.39 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -159.83 160.69 34.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 88' ' ' ARG . 7.7 m -137.75 154.62 29.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.955 0.407 . . . . 0.0 110.517 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.44 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 65.7 t80 -137.93 89.33 2.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.75 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.922 HG12 ' HB1' ' A' ' 115' ' ' ALA . 56.5 mt . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 48.1 p90 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.616 0.246 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.922 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.29 159.09 44.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.002 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 97.3 m-85 -123.99 141.67 51.84 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.949 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.988 HG23 ' HB2' ' A' ' 73' ' ' LEU . 1.4 m -130.18 139.39 51.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -122.64 109.94 14.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 111.587 -171.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.647 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 74.9 m-85 -93.01 169.78 10.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.265 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -65.68 -60.79 2.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.788 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.6 t70 -127.38 167.31 16.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.874 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.415 ' HZ1' ' CD ' ' A' ' 126' ' ' GLU . 44.3 tttm -60.44 -24.81 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.644 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.788 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.4 ptp180 -56.54 -37.96 71.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.207 176.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.647 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.0 m-20 -79.51 -32.32 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.243 0.544 . . . . 0.0 110.023 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -75.96 -38.09 57.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.531 -173.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.574 ' O ' ' HE3' ' A' ' 129' ' ' MET . 40.5 mt-10 -64.84 -43.23 93.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 0.0 111.044 -177.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.82 -28.6 69.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.963 0.411 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.59 6.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.238 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.574 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -61.9 -34.79 76.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.706 -172.765 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.31 -40.68 50.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.397 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.918 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.655 ' HB3' HG22 ' A' ' 144' ' ' VAL . 27.6 tpp -82.3 -16.85 47.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -174.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -72.2 96.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 170.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.612 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 103.15 21.36 10.11 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -170.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.68 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.28 135.52 51.7 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 122.493 0.317 . . . . 0.0 110.55 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.706 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 22.8 t -95.82 116.6 37.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.203 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.663 ' HG ' HD22 ' A' ' 142' ' ' LEU . 0.2 OUTLIER -93.07 -5.33 50.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.551 177.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.409 ' N ' HD12 ' A' ' 137' ' ' LEU . 24.9 t70 -169.5 -73.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.77 -174.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.06 38.19 0.85 Allowed Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.706 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 10.3 tpp180 -159.7 136.06 8.98 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.784 -0.708 . . . . 0.0 109.872 -176.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.68 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 2.0 mp0 -82.93 112.23 19.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.663 HD22 ' HG ' ' A' ' 137' ' ' LEU . 1.8 mm? -56.57 145.22 28.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.533 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -103.54 83.03 2.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 171.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 132' ' ' MET . 25.1 t -90.0 113.42 26.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.076 -173.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -108.66 158.27 17.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.071 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.3 tpp -77.94 121.39 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.509 . . . . 0.0 110.873 -177.409 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HE3' ' HE2' ' A' ' 50' ' ' LYS . 83.7 mtp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -91.86 102.07 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.343 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' ' HA ' ' A' ' 17' ' ' THR . 51.5 m-85 -96.81 134.1 40.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.338 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.833 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 2.9 tppp? -107.59 126.41 52.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 54.3 tp -98.82 122.94 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.162 174.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.579 HD12 ' HB3' ' A' ' 15' ' ' GLU . 49.9 mm -104.14 105.02 17.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.746 HD21 HD13 ' A' ' 12' ' ' LEU . 4.5 mp -89.78 111.16 22.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -96.91 41.19 1.12 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.827 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 151.07 31.59 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.251 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.476 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 9.3 mtmp? -72.71 -29.59 63.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.053 0.454 . . . . 0.0 110.087 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 m -97.0 -42.76 7.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.288 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.746 HD13 HD21 ' A' ' 7' ' ' LEU . 2.5 tm? -121.09 102.62 8.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.076 0.465 . . . . 0.0 110.104 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.5 ttmt -120.57 102.06 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.605 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.67 -174.07 21.36 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.587 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.833 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 1.1 pp20? -146.06 138.19 25.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.01 0.433 . . . . 0.0 110.902 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -150.48 173.2 14.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.183 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.536 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 24.2 p -125.73 167.42 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.529 . . . . 0.0 111.948 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.403 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 10.4 t -147.16 137.56 23.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.974 170.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -77.11 92.39 3.77 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.64 137.23 52.34 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.87 -19.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.546 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -146.4 158.92 43.95 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.697 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.013 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.2 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.0 m -60.1 -41.83 93.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.34 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.21 62.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.58 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.78 -29.76 70.95 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.588 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -60.3 -49.81 76.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 0.0 110.909 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.0 -39.18 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.462 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.6 m-30 -63.82 -35.53 80.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.083 176.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -68.98 -37.39 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.7 -46.49 85.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.979 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HD2' HD23 ' A' ' 7' ' ' LEU . 30.9 t80 -62.68 -51.8 65.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 -48.29 81.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.52 -40.83 98.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.249 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.87 -29.68 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.411 . . . . 0.0 110.809 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 23.0 m-80 -84.98 -18.27 35.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.588 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.42 5.49 51.98 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.52 -0.848 . . . . 0.0 113.497 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.98 120.41 50.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.312 0.577 . . . . 0.0 111.229 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -129.74 133.58 47.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.62 -162.02 13.81 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.095 -175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.8 110.52 8.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.208 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -75.57 99.36 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.212 0.53 . . . . 0.0 110.421 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.36 115.14 28.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.956 -176.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -108.39 121.85 45.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.84 115.68 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.92 -29.45 69.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -53.35 34.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.378 . . . . 0.0 111.688 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -91.75 -4.7 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.947 -175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HE2' ' HE3' ' A' ' 1' ' ' MET . 49.4 mmtm 61.29 39.08 15.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.368 0.604 . . . . 0.0 109.882 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.666 HG21 ' HB3' ' A' ' 4' ' ' LYS . 15.2 p -113.0 127.21 56.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.097 -173.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -93.32 112.07 23.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.6 m -105.77 115.09 29.65 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 54' ' ' VAL . 9.2 p -97.97 104.07 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 122.003 0.906 . . . . 0.0 109.356 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 m -86.03 103.43 14.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.932 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.359 0.6 . . . . 0.0 110.894 -176.179 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.211 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -99.89 149.06 23.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.065 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.972 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -110.47 136.33 49.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.838 0.351 . . . . 0.0 111.212 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -99.85 115.77 30.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.859 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.16 127.95 57.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -133.77 166.66 22.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.316 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 51.3 m-80 65.69 25.51 11.5 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -168.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.416 HD12 HG22 ' A' ' 82' ' ' THR . 41.0 tp -73.46 148.95 42.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.037 -173.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 p -82.62 163.28 21.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 111.982 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -78.4 -7.99 57.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.645 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 18.92 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 111.441 -176.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.478 HG21 HD13 ' A' ' 102' ' ' ILE . 61.4 m -80.95 126.16 31.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.015 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.747 ' O ' ' HB ' ' A' ' 86' ' ' THR . 39.8 m -106.39 157.23 35.46 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 102' ' ' ILE . 53.5 Cg_exo -52.49 -39.63 73.92 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.455 2.103 . . . . 0.0 112.527 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 -38.07 77.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.349 0.595 . . . . 0.0 110.063 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.0 m -54.3 -57.34 11.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.249 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.581 HD21 ' HE2' ' A' ' 91' ' ' PHE . 23.6 mt -73.68 -41.23 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.542 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -54.43 -46.98 73.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -54.36 -46.44 73.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 86' ' ' THR . 3.1 t -74.49 -51.5 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.557 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.581 ' HE2' HD21 ' A' ' 87' ' ' LEU . 46.1 m-85 -65.08 -32.87 74.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.7 pt-20 -66.52 -9.95 39.91 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.662 0.267 . . . . 0.0 111.689 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -67.84 -46.86 70.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.461 ' HE2' ' SD ' ' A' ' 132' ' ' MET . 17.3 m-85 -84.23 -45.29 13.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.986 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -140.48 173.31 23.14 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.512 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -85.03 100.38 11.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.136 0.493 . . . . 0.0 110.416 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.73 126.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.341 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.6 -50.33 3.17 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.672 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -141.85 126.39 17.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.629 0.252 . . . . 0.0 110.845 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.03 143.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.58 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -127.01 104.25 7.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.851 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 84' ' ' PRO . 59.4 mt . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.905 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -147.11 165.35 30.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -124.97 142.15 51.67 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.445 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.578 ' CG2' ' HB2' ' A' ' 73' ' ' LEU . 8.8 m -132.03 131.22 61.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.997 176.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.75 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 29.6 m-85 -105.77 168.27 9.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.29 0.567 . . . . 0.0 112.058 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HB3' ' OD1' ' A' ' 124' ' ' ASP . 33.0 t-80 -61.23 -68.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.173 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.557 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 30.2 t70 -128.27 174.15 9.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.588 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HA ' HG22 ' A' ' 71' ' ' THR . 48.9 tttm -59.63 -31.3 69.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 16.5 ptt180 -59.41 -37.86 79.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.975 0.417 . . . . 0.0 110.506 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.7 m-20 -73.16 -36.38 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 109.743 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.486 ' HB3' ' HB ' ' A' ' 71' ' ' THR . . . -70.85 -38.66 73.19 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.844 -177.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 43.9 mt-10 -69.16 -43.75 73.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.443 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -39.13 67.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.701 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB3' ' HD1' ' A' ' 91' ' ' PHE . . . -80.9 -52.37 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.01 -178.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.972 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -63.94 -30.4 71.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.28 -173.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.536 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 22.7 t70 -76.16 -43.27 43.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.437 . . . . 0.0 110.147 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.59 -56.4 4.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.618 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.548 ' HA ' ' HB3' ' A' ' 135' ' ' ALA . 81.4 mmm -71.99 -12.22 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.044 -165.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.29 85.23 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.583 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 117.4 27.74 2.54 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.821 -170.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -110.08 125.67 53.21 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 122.15 0.18 . . . . 0.0 111.212 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.64 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.0 t -88.3 112.91 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.987 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.603 ' HB3' HD22 ' A' ' 142' ' ' LEU . 1.0 OUTLIER -93.99 -8.89 38.66 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.132 0.491 . . . . 0.0 110.787 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -160.81 -76.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.004 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.71 2.71 2.5 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.64 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 17.2 tpp180 -125.32 134.76 52.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.736 -0.732 . . . . 0.0 110.326 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.643 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -86.04 109.71 19.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -58.88 151.52 21.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.098 -171.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.77 93.44 5.81 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.761 HG12 HD12 ' A' ' 73' ' ' LEU . 48.5 t -103.43 127.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.009 -170.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.457 ' O ' HD13 ' A' ' 73' ' ' LEU . 20.0 mt-30 -130.11 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.694 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.463 ' HE3' ' HG2' ' A' ' 129' ' ' MET . 45.6 ttm -71.55 116.8 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 120.939 0.4 . . . . 0.0 111.342 -172.448 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.794 0.33 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -131.9 130.82 42.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.028 0.442 . . . . 0.0 110.213 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -112.45 150.41 31.23 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.796 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 1.011 ' HG2' HG23 ' A' ' 17' ' ' THR . 36.4 mtpt -115.05 161.04 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.046 0.45 . . . . 0.0 111.417 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -120.79 118.24 29.49 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.805 172.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.2 mm -98.42 107.18 19.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.928 HD22 HD11 ' A' ' 12' ' ' LEU . 4.4 mp -90.2 103.0 15.72 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 76.9 m-20 -97.6 39.54 1.2 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.527 175.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.558 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -91.62 160.0 26.29 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.412 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 19.6 pttm -73.83 -29.44 62.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.468 176.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.5 p -86.39 -35.55 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.247 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.928 HD11 HD22 ' A' ' 7' ' ' LEU . 2.6 tm? -142.88 123.99 14.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.269 -177.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.2 tmtm? -123.0 97.1 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.455 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.66 -174.53 21.79 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.904 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.15 157.45 43.11 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 9.0 t -167.35 164.44 15.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 175.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 1.011 HG23 ' HG2' ' A' ' 4' ' ' LYS . 70.8 p -134.47 161.86 33.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -154.49 141.37 19.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.294 170.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.45 84.88 7.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.466 0.651 . . . . 0.0 109.398 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.2 136.88 42.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.665 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.65 -14.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.0 t70 -143.74 150.61 38.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.566 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.85 91.46 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.357 0.41 . . . . 0.0 111.493 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.87 -31.5 71.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 24.9 m -66.52 -40.55 89.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.762 176.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.58 -49.62 57.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.479 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 12.9 pt-20 -59.09 -37.74 77.84 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.2 -39.12 91.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 111.271 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -71.51 -39.11 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.189 0.519 . . . . 0.0 110.392 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HB3' HD21 ' A' ' 5' ' ' LEU . 20.3 m-30 -67.73 -32.85 73.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.905 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.26 -31.17 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -66.69 -38.57 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.934 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -72.09 -47.02 54.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.253 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.442 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -71.78 -26.21 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.866 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -68.04 -41.23 82.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.46 0.647 . . . . 0.0 109.66 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 42.3 m-80 -88.48 -3.36 58.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.881 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 30.56 62.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.635 -0.711 . . . . 0.0 113.324 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG23 ' HA3' ' A' ' 9' ' ' GLY . 4.1 p -110.41 113.49 44.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.384 0.611 . . . . 0.0 111.111 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 2.9 m-20 -117.52 97.14 5.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.89 175.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.38 -165.37 14.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.56 105.99 14.06 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -66.37 98.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.734 ' HG1' ' HB ' ' A' ' 53' ' ' THR . 19.5 p -105.1 115.58 30.51 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.793 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -112.28 128.98 56.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.166 0.508 . . . . 0.0 111.052 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.31 116.81 29.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.74 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -75.05 -12.42 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.79 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.56 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -94.6 -2.1 52.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.046 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 58.19 48.37 12.91 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.347 0.594 . . . . 0.0 110.812 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.665 HG22 ' HB2' ' A' ' 4' ' ' LYS . 21.5 p -113.31 119.44 37.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.443 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.7 m-85 -90.24 127.08 36.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.734 ' HB ' ' HG1' ' A' ' 44' ' ' THR . 24.2 m -121.72 128.37 51.71 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 120.555 0.216 . . . . 0.0 110.683 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -97.26 102.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -86.69 102.34 14.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.298 -0.865 . . . . 0.0 108.977 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.265 -174.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 121.247 0.546 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -105.28 139.04 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.598 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.82 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -114.53 144.72 42.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.122 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.2 OUTLIER -105.94 116.06 31.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.734 173.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.605 HG22 ' HB2' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -103.1 119.34 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 173.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.92 -177.38 3.82 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.129 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.0 m120 62.04 24.09 14.3 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -170.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 82' ' ' THR . 21.5 tp -61.64 148.27 43.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.688 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.411 ' OG1' HD11 ' A' ' 137' ' ' LEU . 1.0 OUTLIER -73.42 166.79 22.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.615 -179.438 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -96.02 25.47 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.236 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 33.07 0.55 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.561 HG21 HD12 ' A' ' 78' ' ' LEU . 1.3 m -89.98 129.13 36.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -175.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -113.77 141.39 26.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.462 0.172 . . . . 0.0 111.284 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.465 ' HG3' ' HB ' ' A' ' 102' ' ' ILE . 16.5 Cg_exo -64.34 82.28 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.389 2.726 . . . . 0.0 111.89 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -179.22 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.826 HG23 HD22 ' A' ' 137' ' ' LEU . 1.3 m -54.92 -57.0 13.4 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.075 173.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.594 HD23 ' HE2' ' A' ' 91' ' ' PHE . 17.0 mt -64.16 -39.32 93.75 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.29 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.664 ' HB2' HG22 ' A' ' 100' ' ' VAL . 49.2 ttp180 -54.29 -55.8 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -52.39 -44.53 65.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.13 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 86' ' ' THR . 2.7 t -74.76 -44.06 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.785 0.326 . . . . 0.0 111.858 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.594 ' HE2' HD23 ' A' ' 87' ' ' LEU . 52.5 m-85 -73.51 -37.43 65.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -175.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.5 pt-20 -63.92 -18.96 64.74 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 110.953 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 90' ' ' VAL . 55.8 tttp -63.22 -44.9 93.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.315 175.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -83.98 -31.87 25.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.073 -175.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -161.08 -178.48 35.09 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.103 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 96' ' ' ARG . 20.2 ttt180 -79.83 97.51 6.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 110.691 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 12.2 p -103.64 139.44 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.828 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.87 -60.29 0.65 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.281 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.42 136.63 47.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 88' ' ' ARG . 9.7 m -124.15 93.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 122.119 0.961 . . . . 0.0 109.602 171.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -85.28 95.29 9.15 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.654 -173.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.465 ' HB ' ' HG3' ' A' ' 84' ' ' PRO . 32.8 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.552 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.605 ' HB2' HG22 ' A' ' 75' ' ' VAL . . . -137.6 157.23 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.508 . . . . 0.0 112.219 -175.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -129.78 150.61 51.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.278 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.82 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.0 m -131.77 144.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.891 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -120.62 116.85 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 0.0 111.145 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.645 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 84.1 m-85 -98.32 170.51 8.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.193 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.85 -47.9 60.89 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.834 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.917 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 9.0 m-20 -134.78 -177.45 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 0.0 110.262 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.573 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 74.9 tttt -67.55 -28.37 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.048 176.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.917 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 6.0 ptm180 -53.25 -43.19 67.16 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.645 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 11.7 m-20 -78.81 -27.8 44.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.036 -177.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.463 ' HB1' HD23 ' A' ' 73' ' ' LEU . . . -78.35 -37.41 44.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.355 -175.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.573 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 42.9 mt-10 -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.59 -31.76 68.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 110.7 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB2' ' HD1' ' A' ' 91' ' ' PHE . . . -79.93 -53.22 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.801 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.598 ' HE2' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -68.76 -26.75 65.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.675 0.274 . . . . 0.0 111.366 -174.71 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.598 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 28.9 t70 -76.23 -38.07 56.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.279 0.561 . . . . 0.0 109.888 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.17 -49.76 16.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.754 0.788 . . . . 0.0 112.343 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 134' ' ' GLY . 80.2 mmm -90.07 10.42 24.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.294 -164.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.548 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 3.1 p-10 -79.71 10.91 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.88 0.848 . . . . 0.0 109.952 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 132' ' ' MET . . . -167.28 56.79 0.23 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.126 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.605 ' C ' ' HA ' ' A' ' 141' ' ' GLU . . . -127.76 119.87 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.335 . . . . 0.0 111.443 -173.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.639 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 44.0 t -83.19 114.04 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.972 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.826 HD22 HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.52 -19.64 30.85 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 -178.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.516 ' HB2' HD21 ' A' ' 137' ' ' LEU . 13.9 t70 -170.29 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.063 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -131.61 -24.83 0.8 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.735 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.639 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 25.4 tpt180 -121.87 142.55 50.14 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.678 0.275 . . . . 0.0 111.399 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.605 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 1.3 pm0 -77.94 106.93 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.189 165.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -53.29 145.06 14.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.836 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.432 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 26.8 tpt180 -97.76 84.39 3.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 173.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.548 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 54.8 t -90.14 112.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.895 -176.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.774 ' HA ' HE21 ' A' ' 145' ' ' GLN . 0.0 OUTLIER -119.13 150.04 40.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.476 -0.784 . . . . 0.0 108.935 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.575 ' HA ' HD12 ' A' ' 73' ' ' LEU . 44.8 ttm -64.01 116.88 6.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 111.843 -169.324 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -96.79 121.34 38.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.472 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.2 146.39 43.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.442 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.623 ' HG2' HG21 ' A' ' 51' ' ' THR . 1.2 tpmt? -118.18 123.04 44.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.426 -176.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 30' ' ' PHE . 65.8 tp -96.49 123.31 40.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.401 HD13 ' HG2' ' A' ' 15' ' ' GLU . 44.8 mm -112.18 108.15 24.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.872 HD23 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -88.6 105.02 17.38 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.185 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.0 t-20 -97.25 44.33 1.05 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -71.73 167.84 52.05 Favored Glycine 0 N--CA 1.437 -1.265 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.11 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -83.32 -19.87 35.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.635 0.731 . . . . 0.0 109.029 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.2 m -120.29 -48.8 2.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.651 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.872 HD12 HD23 ' A' ' 7' ' ' LEU . 1.5 tm? -100.51 110.48 22.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.155 0.503 . . . . 0.0 110.634 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.5 tttp -120.85 106.87 12.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.474 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.544 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.38 -175.7 21.96 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.092 -1.051 . . . . 0.0 113.053 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' HD13 ' A' ' 6' ' ' ILE . 52.0 mt-10 -133.48 152.2 51.88 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.53 0.332 . . . . 0.0 110.178 178.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.437 HG21 ' HB3' ' A' ' 5' ' ' LEU . 14.3 t -164.74 153.04 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.11 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.427 ' CG2' ' HE3' ' A' ' 4' ' ' LYS . 20.4 p -126.83 165.64 18.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.508 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -157.62 145.45 18.79 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -85.0 85.17 7.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.487 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . . . -102.25 146.29 28.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.99 -174.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -99.18 -31.1 3.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.58 15.65 14.58 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 119.557 -0.857 . . . . 0.0 112.827 -168.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.01 -56.41 0.36 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.073 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.462 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.9 -29.54 70.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.413 0.625 . . . . 0.0 109.829 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 m -62.64 -34.92 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.551 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' A' ' 20' ' ' ALA . . . -71.64 -53.1 14.73 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.117 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.4 pt-20 -59.06 -33.59 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.314 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -61.43 -45.03 96.03 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.78 -36.95 72.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HB3' HD11 ' A' ' 5' ' ' LEU . 21.6 m-30 -64.68 -31.39 72.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.843 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.4 mttm -68.34 -36.72 79.67 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.066 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -64.73 -36.47 84.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.141 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.42 ' HD1' HD22 ' A' ' 7' ' ' LEU . 33.8 t80 -68.82 -51.38 41.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.04 -50.86 71.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.698 -177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.65 -38.3 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.435 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.89 -32.87 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 110.404 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.79 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 34.0 m-80 -86.37 -13.07 47.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.002 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.99 14.91 44.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.808 -0.71 . . . . 0.0 114.092 170.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.2 131.52 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.331 0.566 . . . . 0.0 111.983 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -133.09 134.09 43.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.53 -165.61 13.44 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.555 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.24 98.26 2.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -65.09 99.34 0.36 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.45 116.87 32.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.389 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 66.0 t80 -110.27 121.49 45.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.977 0.418 . . . . 0.0 111.051 -177.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -94.0 124.13 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.126 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.3 -17.54 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.147 -174.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.07 -36.37 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.5 p -110.51 -11.01 14.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HZ3' ' HB2' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 63.89 34.27 11.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.073 0.463 . . . . 0.0 110.87 -173.579 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.623 HG21 ' HG2' ' A' ' 4' ' ' LYS . 21.5 p -92.86 118.61 31.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.321 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' O ' HD13 ' A' ' 5' ' ' LEU . 58.5 m-85 -93.72 111.92 23.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 169.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 m -109.44 125.08 52.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.235 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -96.92 103.93 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 16.8 m -87.57 110.86 20.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.181 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.69 0.281 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -99.02 140.19 33.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.268 0.556 . . . . 0.0 111.1 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.706 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.8 mm? -108.92 149.35 29.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.875 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -115.06 126.07 54.28 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 0.8 OUTLIER -111.33 138.37 40.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -139.55 177.17 8.12 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 50.1 m-80 63.25 27.39 15.49 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -170.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.47 HD11 HG21 ' A' ' 82' ' ' THR . 17.6 tp -71.99 148.16 46.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.36 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 81' ' ' ARG . 4.2 p -79.66 6.68 10.07 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 70.24 -30.93 0.21 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.054 0.541 . . . . 0.0 112.279 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 79' ' ' THR . 14.7 ptm180 -77.37 -21.12 53.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.987 0.423 . . . . 0.0 110.419 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.47 HG21 HD11 ' A' ' 78' ' ' LEU . 15.7 m -54.0 125.65 19.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.704 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.78 ' O ' ' HB ' ' A' ' 86' ' ' THR . 29.5 m -99.72 155.57 36.33 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.201 177.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HA ' HD11 ' A' ' 102' ' ' ILE . 7.8 Cg_endo -50.68 -48.23 21.48 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.878 2.385 . . . . 0.0 113.059 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.24 -20.91 63.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.79 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -59.76 -56.81 17.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.71 175.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.567 HD23 ' HE2' ' A' ' 91' ' ' PHE . 14.6 mt -69.42 -38.35 77.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.938 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.445 ' HB2' HG22 ' A' ' 100' ' ' VAL . 34.2 ttt180 -53.24 -50.22 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.909 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -55.23 -46.59 75.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.119 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 86' ' ' THR . 2.8 t -74.43 -48.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 111.389 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' HE2' HD23 ' A' ' 87' ' ' LEU . 24.3 m-85 -64.14 -38.54 91.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.191 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 12.2 pt-20 -62.42 -10.69 12.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -73.73 -36.32 65.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.548 176.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -84.02 -36.63 22.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.113 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.42 -178.4 31.44 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -88.19 95.39 10.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.585 0.692 . . . . 0.0 111.043 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -85.86 139.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.515 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.68 -13.04 7.55 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.053 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -153.79 146.45 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.996 0.398 . . . . 0.0 110.484 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 88' ' ' ARG . 14.3 m -141.5 139.9 31.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.079 0.466 . . . . 0.0 110.646 175.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -133.67 112.8 11.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.55 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.768 HG12 ' HB1' ' A' ' 115' ' ' ALA . 40.2 mt . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.846 0.355 . . . . 0.0 111.403 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.411 ' HE2' ' CE2' ' A' ' 116' ' ' PHE . 28.9 p90 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.768 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -148.74 162.21 40.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.844 0.354 . . . . 0.0 111.331 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.411 ' CE2' ' HE2' ' A' ' 114' ' ' PHE . 57.2 m-85 -124.05 140.22 53.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.088 175.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.3 m -129.79 137.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.217 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -118.75 117.18 28.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.993 0.425 . . . . 0.0 111.554 -172.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.74 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 28.7 m-85 -101.83 168.43 9.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.929 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -62.55 -66.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.722 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.485 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 5.6 m-20 -119.28 -179.21 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.375 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -69.76 -28.3 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 27.4 ptt85 -57.61 -37.54 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.74 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 22.4 m-20 -75.03 -35.13 61.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.337 0.589 . . . . 0.0 109.974 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 73' ' ' LEU . . . -74.56 -36.82 63.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.099 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.46 -54.3 48.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.28 -36.03 70.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.138 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.418 ' HB2' ' HD1' ' A' ' 91' ' ' PHE . . . -80.2 -53.13 6.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.428 -172.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.614 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.78 -34.99 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.638 0.256 . . . . 0.0 110.617 -176.28 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.487 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 10.7 t70 -66.87 -41.95 86.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.198 0.523 . . . . 0.0 110.167 178.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.92 -46.03 46.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.217 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.654 ' HA ' ' CB ' ' A' ' 135' ' ' ALA . 34.1 tpp -80.35 -16.9 53.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.579 -173.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.7 89.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.541 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 110.07 15.84 11.26 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.43 -171.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -99.3 128.47 45.43 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.1 t -93.02 103.78 15.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.873 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.679 HD11 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -84.12 -22.62 31.02 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.679 ' N ' HD11 ' A' ' 137' ' ' LEU . 34.1 t70 172.7 98.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.188 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.62 7.87 36.72 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.666 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 13.7 tpp180 -157.34 134.31 10.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.663 0.232 . . . . 0.0 110.916 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.657 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -88.06 115.77 25.77 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.379 0.609 . . . . 0.0 110.111 167.473 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.654 HD23 ' HB3' ' A' ' 137' ' ' LEU . 2.0 mm? -63.51 153.93 34.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.454 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.52 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 72.3 ttt180 -103.38 110.4 22.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.577 HG22 ' CG ' ' A' ' 132' ' ' MET . 33.6 t -123.77 111.79 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.161 0.505 . . . . 0.0 110.681 -172.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -130.6 177.06 7.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.484 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.7 mmt -69.1 138.69 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.47 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.875 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.101 0.477 . . . . 0.0 111.549 -178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 tpp . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.89 0.376 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -77.65 110.07 12.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.889 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 17' ' ' THR . 32.3 m-85 -106.91 136.21 47.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.865 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.638 ' HB3' HG21 ' A' ' 51' ' ' THR . 30.5 ttmt -108.84 143.08 38.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.904 0.383 . . . . 0.0 111.234 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 64.2 tp -109.0 118.92 38.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.066 173.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' A' ' 15' ' ' GLU . 47.8 mm -91.26 108.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.443 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.689 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 9.7 mt -85.84 101.1 12.53 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.48 45.84 1.04 Allowed 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.84 -164.94 40.6 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 114.931 -1.031 . . . . 0.0 113.533 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.601 ' HZ3' ' HB2' ' A' ' 10' ' ' LYS . 4.9 ttmp? -73.14 -64.39 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -109.88 16.96 21.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.238 0.542 . . . . 0.0 110.566 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD22 HD12 ' A' ' 7' ' ' LEU . 54.9 tp -137.98 117.35 12.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.789 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 21.3 ttpp -136.66 92.16 2.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.653 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.74 179.88 26.14 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.035 -175.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HG2' HD11 ' A' ' 6' ' ' ILE . 52.5 mt-10 -131.35 139.31 49.49 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -150.92 150.12 30.46 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 4' ' ' LYS . 62.9 p -125.83 156.57 39.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.813 0.34 . . . . 0.0 110.824 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 t -143.68 152.27 41.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.381 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -80.48 90.41 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.242 0.544 . . . . 0.0 110.19 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 135.63 43.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.915 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 m -77.55 -24.08 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.876 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -152.59 158.99 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.18 73.61 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.235 0.334 . . . . 0.0 111.382 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.75 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.6 m -73.93 -41.06 62.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.919 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.04 80.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.244 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.5 pt-20 -60.97 -36.61 79.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.768 -176.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.59 -42.68 99.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.988 0.423 . . . . 0.0 111.016 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.62 -42.01 83.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.271 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.5 m-30 -64.07 -36.12 82.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.229 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.5 mttt -71.54 -35.02 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.207 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.0 -43.5 95.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.082 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -68.88 -45.21 71.56 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.76 94.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.228 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -64.45 -35.78 82.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.78 -42.24 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.987 0.423 . . . . 0.0 110.62 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -78.49 -16.16 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.295 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.64 35.72 15.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.958 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 p -114.61 110.75 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.594 0.711 . . . . 0.0 110.867 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -120.67 96.6 5.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.192 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 56' ' ' GLU . . . -123.86 -168.83 13.04 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.341 -176.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 36.0 tt0 -66.89 114.12 5.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 58.9 m95 -78.99 106.58 11.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 111.182 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.425 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 12.2 p -115.72 149.6 38.17 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.395 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -136.0 123.8 22.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.0 110.293 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.538 ' HB2' ' HG1' ' A' ' 51' ' ' THR . 8.6 m-20 -89.44 117.91 28.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.952 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.09 150.38 48.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.997 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.59 -42.1 0.46 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.932 0.893 . . . . 0.0 112.224 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 p -85.54 -15.28 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.602 0.239 . . . . 0.0 111.384 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.84 31.86 11.3 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.416 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 4' ' ' LYS . 25.4 p -107.98 123.87 49.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -94.1 146.44 23.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 70.9 m -137.11 125.98 24.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.565 0.221 . . . . 0.0 110.785 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.05 104.77 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.174 0.512 . . . . 0.0 110.123 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 41.1 m -88.78 101.37 13.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.489 ' HB2' ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.595 ' HB ' ' HB1' ' A' ' 125' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 121.495 0.664 . . . . 0.0 112.157 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -103.26 135.61 44.57 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.44 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.912 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -100.28 144.41 29.33 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.434 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 1.0 OUTLIER -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 176.664 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 0.7 OUTLIER -104.36 131.14 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.91 175.01 9.96 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.51 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 18.3 m-80 60.45 26.1 15.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 109.276 -168.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.513 HD11 HG22 ' A' ' 82' ' ' THR . 24.2 tp -69.49 149.05 48.69 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.971 -172.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.427 ' HB ' ' CD ' ' A' ' 81' ' ' ARG . 33.6 p -88.96 147.62 24.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.42 30.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -173.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.427 ' CD ' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -135.31 16.67 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 109.914 173.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.513 HG22 HD11 ' A' ' 78' ' ' LEU . 34.1 m -86.68 110.5 19.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.289 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.723 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.3 p -86.2 154.43 57.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.649 ' HA ' HD13 ' A' ' 102' ' ' ILE . 6.3 Cg_endo -51.35 -43.84 46.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.868 2.379 . . . . 0.0 112.812 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.31 -28.94 68.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.49 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.723 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -54.86 -57.33 12.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.23 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' A' ' 91' ' ' PHE . 14.2 mt -69.58 -31.81 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -176.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -55.23 -55.04 35.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.164 174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.83 -41.29 97.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.123 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 86' ' ' THR . 5.2 t -73.97 -49.06 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.755 -176.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 28.8 m-85 -70.79 -31.3 68.02 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.6 -5.84 13.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.315 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.41 -47.33 86.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.114 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.406 ' HB3' ' OD2' ' A' ' 127' ' ' ASP . 79.4 m-85 -84.57 -53.27 5.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.13 -174.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.24 -174.17 13.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 0.0 112.33 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -89.17 95.35 10.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.403 0.62 . . . . 0.0 110.948 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.6 p -88.37 126.32 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.126 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.65 -45.29 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.012 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -159.18 174.26 15.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.56 171.37 17.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.271 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.646 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 31.3 t80 -131.61 82.01 2.01 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.322 0.582 . . . . 0.0 110.224 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 84' ' ' PRO . 21.4 mt . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.409 ' HB2' ' HZ1' ' A' ' 74' ' ' LYS . 40.9 p90 . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 120.797 0.332 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.618 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -152.85 162.76 40.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.688 175.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.646 ' HB2' ' HB3' ' A' ' 101' ' ' TYR . 92.2 m-85 -130.28 155.33 46.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.912 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.9 m -134.93 139.92 46.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -111.47 110.32 20.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.76 0.314 . . . . 0.0 111.757 -172.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.777 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 34.3 m-85 -103.12 164.2 11.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -67.81 -69.42 0.32 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.583 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.591 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 15.1 t70 -115.21 167.96 10.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.975 -174.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.713 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 60.8 tttp -56.28 -32.07 64.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.591 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 6.7 ptm180 -54.15 -42.47 69.61 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.198 0.523 . . . . 0.0 111.239 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.777 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 18.9 m-20 -79.61 -36.04 38.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.377 0.608 . . . . 0.0 109.978 -175.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.595 ' HB1' ' HB ' ' A' ' 71' ' ' THR . . . -74.26 -40.16 62.52 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.896 -175.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.713 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 1.7 mm-40 -76.37 -36.16 58.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.448 -175.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 94' ' ' TYR . 2.3 t70 -59.4 -39.36 83.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.771 0.796 . . . . 0.0 109.312 176.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.28 9.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.353 -1.294 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.729 ' HE2' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -57.76 -42.5 84.16 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 111.013 -177.269 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.729 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 26.6 t70 -66.28 -42.62 88.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.18 62.16 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.238 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 26.0 tpp -86.28 -14.8 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.278 -174.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.19 87.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 171.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.668 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 114.96 26.43 3.55 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.186 -170.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.696 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.97 134.95 53.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.402 0.281 . . . . 0.0 110.954 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 16.0 t -97.99 105.72 17.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.111 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -87.82 -8.46 55.89 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.221 179.078 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.498 ' N ' HD12 ' A' ' 137' ' ' LEU . 3.6 t70 -159.58 -76.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.17 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.41 24.89 1.86 Allowed Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.59 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 12.5 tpp180 -147.05 130.93 17.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.844 -0.678 . . . . 0.0 110.084 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.696 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -76.67 106.32 8.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 167.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 137' ' ' LEU . 1.6 mm? -56.47 146.89 23.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 74.5 ttt180 -95.94 107.78 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 32.6 t -118.15 113.1 41.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.449 0.642 . . . . 0.0 110.63 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.37 170.51 13.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.19 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.2 tpp -72.46 118.83 15.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-O 121.369 0.604 . . . . 0.0 110.964 -176.675 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 13.3 tpt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.658 0.266 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.473 HE21 ' CB ' ' A' ' 17' ' ' THR . 41.8 tp60 -83.25 109.76 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 17' ' ' THR . 5.4 m-85 -99.31 131.53 45.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.622 -177.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.675 ' HB3' HG22 ' A' ' 51' ' ' THR . 17.1 ttmt -105.48 134.28 48.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.186 0.517 . . . . 0.0 111.557 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 30' ' ' PHE . 62.1 tp -102.43 123.92 47.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.028 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 15' ' ' GLU . 46.0 mm -102.95 106.69 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.547 174.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.63 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.0 mp -90.85 104.46 17.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.008 0.433 . . . . 0.0 109.926 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.611 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.4 t-20 -94.84 43.13 1.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.103 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.774 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -71.97 152.43 48.7 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.719 -175.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -75.63 -28.95 59.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -96.41 -39.34 9.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.287 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.534 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 3.0 tm? -133.8 107.93 8.18 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 111.183 -175.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 47.1 mtmt -93.68 125.08 38.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 168.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.42 164.5 29.03 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.938 -1.125 . . . . 0.0 113.147 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HG2' ' HE2' ' A' ' 4' ' ' LYS . 30.7 tt0 -147.92 122.94 10.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -161.35 166.11 27.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.541 0.21 . . . . 0.0 110.644 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.528 HG21 ' HB2' ' A' ' 4' ' ' LYS . 55.1 p -131.25 161.09 33.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.278 0.561 . . . . 0.0 111.755 -176.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -142.24 147.37 36.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.766 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.47 94.69 7.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -99.07 128.76 45.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.386 -172.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.03 -26.44 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.357 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -146.69 155.1 42.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.202 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.01 74.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -69.31 -33.64 73.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.432 . . . . 0.0 110.407 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' HG21 ' A' ' 29' ' ' VAL . 26.7 m -67.84 -39.4 83.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.778 174.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.46 -52.6 57.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.127 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.82 -34.61 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.264 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -60.44 -46.06 91.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 25' ' ' THR . 32.4 t -71.23 -38.13 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.21 0.529 . . . . 0.0 110.356 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.577 ' HB3' HD23 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.67 -30.31 71.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.403 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.3 mttt -74.26 -23.92 59.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -70.06 -37.3 75.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 0.0 109.808 174.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' HD21 ' A' ' 7' ' ' LEU . 27.5 t80 -73.43 -45.94 51.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.545 176.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -60.18 -53.49 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.15 -34.45 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.489 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.97 -40.64 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 110.771 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.534 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 42.6 m-80 -87.16 -11.38 50.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.339 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 -6.05 74.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.948 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG22 ' HG3' ' A' ' 56' ' ' GLU . 2.0 p -95.82 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.222 0.534 . . . . 0.0 111.647 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.4 91.86 3.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.9 -151.7 19.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.841 -173.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.53 107.31 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.62 -0.29 . . . . 0.0 110.295 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -78.16 105.55 9.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.743 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -112.34 149.31 32.61 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -132.04 128.32 38.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -89.45 124.09 34.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.556 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -85.68 -8.91 57.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.09 0.472 . . . . 0.0 110.238 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.1 -60.28 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -92.57 -6.45 49.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.265 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.82 39.17 20.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.415 0.626 . . . . 0.0 110.459 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.675 HG22 ' HB3' ' A' ' 4' ' ' LYS . 10.6 p -104.84 131.85 51.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.898 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' HD1' ' HE2' ' A' ' 30' ' ' PHE . 45.2 m-85 -95.0 145.17 25.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -134.39 126.43 29.56 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -103.08 103.15 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 170.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.611 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 57.6 m -85.14 96.01 9.32 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.774 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 3.5 tm-20 . . . . . 0 C--N 1.319 -0.739 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.488 ' HG1' ' N ' ' A' ' 122' ' ' LYS . 16.9 m . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 121.266 0.555 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 m -87.73 150.56 23.52 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.351 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.814 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.2 mm? -116.3 141.66 47.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.874 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.33 113.21 25.75 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.687 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.67 HG23 HD11 ' A' ' 78' ' ' LEU . 2.9 m -107.53 123.35 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 172.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -117.39 165.96 12.89 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.787 -170.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' N ' HD21 ' A' ' 77' ' ' ASN . 0.9 OUTLIER 64.31 43.52 4.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.691 177.052 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.67 HD11 HG23 ' A' ' 75' ' ' VAL . 7.2 mp -75.71 166.02 24.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 111.623 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 81' ' ' ARG . 29.9 p -94.57 11.37 31.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.177 -171.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 72.43 -37.27 0.38 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.428 0.691 . . . . 0.0 111.784 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' A' ' 79' ' ' THR . 11.4 ptm180 -71.07 -15.94 62.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.477 HG23 HG22 ' A' ' 86' ' ' THR . 23.8 m -67.3 113.78 5.49 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.205 176.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.577 ' O ' ' HB ' ' A' ' 86' ' ' THR . 35.0 m -93.67 153.38 41.17 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.39 -175.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.12 11.74 0.15 Allowed 'Trans proline' 0 N--CA 1.48 0.705 0 C-N-CA 123.572 2.848 . . . . 0.0 114.77 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.43 -27.3 8.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 168.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.634 ' O ' HG22 ' A' ' 90' ' ' VAL . 6.1 m -52.0 -57.1 10.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.277 175.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.722 ' HG ' HD13 ' A' ' 102' ' ' ILE . 16.7 mt -66.12 -31.59 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.419 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' A' ' 100' ' ' VAL . 49.2 mtm180 -59.45 -53.04 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -56.82 -45.23 82.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.228 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 86' ' ' THR . 2.3 t -74.79 -51.05 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.82 0.343 . . . . 0.0 111.695 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.653 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 31.4 m-85 -67.94 -33.38 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -173.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 9.1 pt-20 -59.88 -18.88 47.91 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.743 0.306 . . . . 0.0 111.776 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -37.95 86.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.242 0.544 . . . . 0.0 110.445 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -85.22 -34.59 21.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.768 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.454 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -162.54 179.45 37.83 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -81.66 97.52 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.486 0.643 . . . . 0.0 110.879 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.6 p -87.37 131.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 175.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.94 -44.58 5.97 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.486 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -162.78 146.17 11.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.519 HG11 ' HG2' ' A' ' 88' ' ' ARG . 5.4 m -123.27 144.99 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -119.88 112.12 18.81 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.722 HD13 ' HG ' ' A' ' 87' ' ' LEU . 37.4 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.941 0.4 . . . . 0.0 110.219 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.421 ' HE2' ' HE2' ' A' ' 116' ' ' PHE . 28.6 p90 . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -160.82 167.25 27.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.205 0.526 . . . . 0.0 111.74 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.421 ' HE2' ' HE2' ' A' ' 114' ' ' PHE . 97.2 m-85 -130.5 145.68 51.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.814 HG23 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -126.88 127.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -108.61 109.83 21.14 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.051 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.5 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 39.5 m-85 -94.15 168.77 10.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.542 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -64.69 -49.98 68.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.767 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.748 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.7 t70 -141.16 169.31 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.164 -174.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.488 ' N ' ' HG1' ' A' ' 71' ' ' THR . 49.9 tttm -61.82 -27.49 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.43 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.748 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.8 ptp180 -56.82 -41.49 77.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.944 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.0 m-20 -79.78 -33.16 40.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.41 0.624 . . . . 0.0 110.133 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.429 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -72.82 -33.4 66.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.358 -173.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.504 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.77 -54.61 43.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.243 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -61.99 -27.31 68.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.414 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 91' ' ' PHE . . . -80.48 -53.01 6.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.67 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.57 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.94 -29.81 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 111.078 -175.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.55 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 18.5 t70 -72.64 -43.79 62.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.491 . . . . 0.0 109.941 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.78 -49.66 24.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.135 -174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.758 ' HB3' HG21 ' A' ' 144' ' ' VAL . 31.1 tpp -79.14 -11.8 59.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.807 -172.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.9 95.75 2.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.572 ' HA2' ' OE1' ' A' ' 141' ' ' GLU . . . 100.63 24.92 8.95 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.352 -171.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.667 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -116.57 131.89 56.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 122.709 0.404 . . . . 0.0 111.2 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.674 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.4 t -86.99 114.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.24 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.771 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.46 -18.62 35.31 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.354 178.166 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.499 ' HB2' HD22 ' A' ' 137' ' ' LEU . 9.8 t70 -160.6 -73.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.801 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.18 20.94 3.16 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.674 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.4 tpp180 -146.53 130.75 17.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.832 -0.684 . . . . 0.0 110.191 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.667 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.2 OUTLIER -76.8 120.47 22.0 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 164.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -69.03 154.42 42.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.029 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.554 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -106.37 102.65 12.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 171.197 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 132' ' ' MET . 11.2 t -111.52 113.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.486 . . . . 0.0 111.071 -171.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -129.54 162.71 27.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.125 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.52 ' SD ' ' HG2' ' A' ' 129' ' ' MET . 0.1 OUTLIER -58.68 125.57 23.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 111.044 178.509 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.016 177.514 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.967 0.413 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 49.1 tt0 -90.07 97.17 11.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.969 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.599 ' O ' ' HA ' ' A' ' 17' ' ' THR . 18.4 m-85 -84.26 135.53 34.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.792 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.613 ' HB3' HG22 ' A' ' 51' ' ' THR . 3.1 tppp? -91.6 126.45 36.69 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.184 174.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 30' ' ' PHE . 57.6 tp -97.55 121.89 39.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.483 172.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mm -94.39 104.07 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.116 0.484 . . . . 0.0 109.704 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.938 ' HB3' HD11 ' A' ' 12' ' ' LEU . 14.5 mt -83.07 99.46 9.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.298 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.58 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 40.9 t30 -109.09 40.86 1.74 Allowed 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.765 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -83.23 173.58 51.93 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.351 -169.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 18.7 pttm -81.43 -28.49 34.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -41.75 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.938 HD11 ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -136.92 165.36 26.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.976 -176.018 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 81.6 tttt -148.89 94.97 2.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 170.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.571 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.95 -175.6 22.29 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.34 -174.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 44.2 mt-10 -130.95 143.06 50.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -152.44 157.53 41.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.764 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 39.9 p -133.12 152.01 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 111.314 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.415 HG21 ' CE1' ' A' ' 30' ' ' PHE . 9.5 t -136.53 139.71 42.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.432 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 96.17 3.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.39 141.01 39.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.319 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -79.03 -23.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.037 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -149.22 157.93 43.76 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.41 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.74 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -75.13 -41.1 59.12 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.758 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.97 87.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.316 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -62.85 -28.93 70.36 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.791 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -67.18 -46.71 73.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.49 -37.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.166 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.8 m-30 -66.34 -35.68 80.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.116 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -68.47 -37.78 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.145 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.5 -48.27 80.31 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.35 -48.35 82.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -64.78 -46.31 82.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.44 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -67.76 -36.65 80.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.16 -40.89 82.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.673 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -73.62 -38.19 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.519 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.3 23.55 4.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.48 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.506 HG13 HD12 ' A' ' 12' ' ' LEU . 2.4 p -105.49 124.26 60.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.1 0.476 . . . . 0.0 110.952 177.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -119.83 85.26 2.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.62 171.52 18.35 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.214 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.52 108.74 3.92 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -68.53 112.19 5.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 p -130.34 119.25 22.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.259 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE1' ' HE2' ' A' ' 3' ' ' TYR . 60.1 t80 -99.75 130.36 45.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 0.0 110.603 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -108.94 117.29 33.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.66 -32.75 66.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.248 -177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 -47.69 79.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -103.9 -2.29 26.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.751 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 61.28 38.04 16.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.613 HG22 ' HB3' ' A' ' 4' ' ' LYS . 40.7 p -110.77 142.56 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 111.984 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' HD12 ' A' ' 5' ' ' LEU . 44.7 m-85 -103.19 112.98 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -102.63 121.41 42.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.546 0.212 . . . . 0.0 111.04 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.01 103.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.0 109.961 170.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.58 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.6 m -90.91 113.71 25.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.765 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 37.3 tt0 -131.59 98.04 4.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.879 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.69 -39.79 5.47 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.53 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.8 t 57.9 84.47 0.1 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.474 0.654 . . . . 0.0 111.091 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.34 -32.62 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.074 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.9 m80 66.29 -170.98 0.19 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.286 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -146.11 27.85 1.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.156 0.503 . . . . 0.0 110.447 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -95.6 -30.24 13.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.626 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -96.74 105.17 17.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.63 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -173.14 100.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 mmt -126.72 13.83 7.48 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.81 155.64 40.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.967 -1.47 . . . . 0.0 110.216 -176.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 68' ' ' GLU . 47.2 t -126.22 -72.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.395 -177.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' HG2' HG12 ' A' ' 67' ' ' VAL . 45.2 mm-40 -108.29 146.86 32.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.856 0.36 . . . . 0.0 111.424 -173.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.41 -153.95 8.62 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.029 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.428 ' HE3' ' HB2' ' A' ' 70' ' ' MET . 33.8 mtm 53.6 34.79 19.42 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.927 0.491 . . . . 0.0 111.784 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 p -70.04 133.22 46.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.28 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -92.87 148.67 21.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.972 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -110.71 149.76 30.02 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.0 tppp? -111.21 117.0 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.043 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.566 HG23 ' HB1' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -106.75 127.32 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -126.88 174.94 8.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.569 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 64.29 17.3 10.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -171.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 115' ' ' ALA . 28.8 tp -63.02 133.42 54.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.385 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 2.2 p -71.54 141.3 50.1 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.422 176.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -74.82 -5.55 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 0.0 111.554 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HG2' ' HB ' ' A' ' 79' ' ' THR . 15.7 ptm180 -88.33 -0.47 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.95 0.405 . . . . 0.0 110.47 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.545 HG21 HD13 ' A' ' 78' ' ' LEU . 13.3 m -76.79 131.56 38.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.823 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.738 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.2 m -102.12 149.77 36.88 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.702 ' HA ' HD12 ' A' ' 102' ' ' ILE . 73.1 Cg_exo -49.08 -46.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.897 2.398 . . . . 0.0 113.019 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.26 -33.72 59.17 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.287 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.738 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.4 m -57.88 -57.13 14.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.002 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.533 HD21 ' HE2' ' A' ' 91' ' ' PHE . 32.9 mt -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.577 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.42 ' HB2' HG22 ' A' ' 100' ' ' VAL . 63.9 ttt180 -58.77 -43.67 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.42 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -64.4 -37.81 88.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.217 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 86' ' ' THR . 11.4 t -74.44 -54.71 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 37.7 m-85 -61.6 -32.94 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.55 -13.16 38.7 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.04 -33.02 45.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.195 0.522 . . . . 0.0 110.443 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.38 -32.51 24.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.195 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.478 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -164.28 172.36 40.05 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -76.45 98.78 4.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.8 p -90.48 140.78 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.187 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.51 -50.18 3.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.19 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -157.72 165.8 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.42 HG22 ' HB2' ' A' ' 88' ' ' ARG . 21.4 m -131.06 143.08 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.141 0.496 . . . . 0.0 110.803 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -121.61 93.79 4.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.997 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 84' ' ' PRO . 35.4 mt -97.73 101.85 11.67 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -62.43 140.66 83.41 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 -173.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -110.51 76.82 1.0 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.132 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.78 118.64 24.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.74 5.04 38.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.97 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -89.33 -40.46 12.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.361 0.601 . . . . 0.0 109.553 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 111' ' ' SER . 15.1 p -119.63 88.89 3.02 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.741 173.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -69.6 -15.79 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.32 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -154.26 86.53 1.16 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.319 0.581 . . . . 0.0 109.926 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 108' ' ' THR . 52.5 m -154.72 -72.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.958 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -104.96 120.87 42.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.889 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -115.33 90.58 0.53 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.588 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -138.97 156.26 47.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.808 0.337 . . . . 0.0 110.799 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.631 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -148.3 160.55 42.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.987 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -121.3 145.3 48.01 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.972 HG22 ' HB2' ' A' ' 73' ' ' LEU . 3.0 m -132.18 131.73 61.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -108.58 117.34 33.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.929 0.395 . . . . 0.0 111.111 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.564 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 3.8 m-85 -99.96 168.34 9.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.474 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -56.7 -60.65 3.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.276 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.495 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.2 t70 -143.97 169.87 16.99 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 78.3 tttt -58.59 -33.38 69.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.495 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 0.2 OUTLIER -54.42 -37.36 65.02 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.915 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.539 ' CB ' ' HD2' ' A' ' 119' ' ' PHE . 10.2 m-20 -79.42 -34.32 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.312 0.577 . . . . 0.0 110.037 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' A' ' 73' ' ' LEU . . . -73.52 -31.71 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.323 -175.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.8 mt-10 -58.75 -49.89 75.96 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.388 0.43 . . . . 0.0 110.584 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -62.45 -37.79 87.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.09 -53.11 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -174.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.671 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -62.14 -38.42 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 -176.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.671 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 24.1 t70 -71.33 -41.83 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.744 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.85 -52.67 12.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.725 ' HA ' ' HB3' ' A' ' 135' ' ' ALA . 59.7 mtp -83.79 1.04 44.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.592 -167.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.401 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 18.5 t70 -71.33 86.74 0.82 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 165.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.699 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.03 23.92 4.08 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.496 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 132' ' ' MET . . . -99.58 131.19 45.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.168 0.187 . . . . 0.0 110.5 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.0 t -95.84 113.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.696 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.623 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -85.44 -15.94 41.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 110.283 178.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.484 ' N ' HD12 ' A' ' 137' ' ' LEU . 19.3 t70 -164.95 -70.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.95 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.0 35.47 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.647 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 2.3 tpm_? -156.48 127.65 6.97 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.184 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.699 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 29.3 mt-10 -78.69 113.18 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 168.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 137' ' ' LEU . 2.4 mm? -63.98 144.84 56.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 110.995 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 18.9 tpp180 -92.01 86.58 5.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 129' ' ' MET . 30.5 t -96.18 117.92 41.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.12 164.9 21.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 51.6 ttm -79.86 117.63 20.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -103.0 86.58 2.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.254 0.55 . . . . 0.0 110.363 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -92.26 31.48 1.29 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.89 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . 0.434 ' HE2' ' HB3' ' A' ' 152' ' ' PRO . 52.7 p90 -61.37 137.68 58.24 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.626 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -94.7 120.08 6.31 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.34 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 151' ' ' ARG . 28.5 mtp180 67.55 105.17 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.238 0 C-N-CA 122.733 0.413 . . . . 0.0 111.953 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.434 ' HB3' ' HE2' ' A' ' 149' ' ' TYR . 55.8 Cg_endo -74.22 111.68 3.37 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.168 1.912 . . . . 0.0 111.205 171.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.82 -33.61 20.17 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.466 2.11 . . . . 0.0 111.402 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.31 25.26 14.72 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.235 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 50.9 m -85.78 12.88 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.327 0.584 . . . . 0.0 110.936 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -82.81 38.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.065 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -97.84 106.4 18.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.825 -0.607 . . . . 0.0 110.545 -178.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mmm . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -83.03 100.34 10.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.607 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.502 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 27.7 m-85 -93.54 137.47 32.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.901 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.613 ' HD3' ' HB3' ' A' ' 15' ' ' GLU . 33.2 ttmt -110.46 138.18 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.202 0.525 . . . . 0.0 111.547 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 30' ' ' PHE . 59.2 tp -99.24 121.69 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.568 174.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.3 mm -95.48 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.412 0.625 . . . . 0.0 109.515 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.627 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 11.1 mt -81.02 118.31 22.38 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.107 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 15.5 t-20 -128.53 58.88 1.55 Allowed 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 177.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.68 -153.51 29.75 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.506 -170.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.664 ' HG3' ' HE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -65.5 -63.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.223 0.535 . . . . 0.0 110.038 -177.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.7 p -114.28 -37.69 4.31 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.45 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.688 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.53 128.95 34.0 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 122.365 1.079 . . . . 0.0 111.128 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.7 mtpm? -150.79 91.4 1.72 Allowed 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.619 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.627 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.56 -174.07 19.92 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.888 -174.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.613 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 13.7 mp0 -123.94 146.25 48.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.738 0.304 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -155.94 154.69 31.55 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.468 HG23 ' HB2' ' A' ' 4' ' ' LYS . 66.5 p -126.69 165.9 18.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 t -146.25 151.99 38.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.828 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.53 99.53 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.13 134.27 54.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.997 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.93 -19.62 16.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.726 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -158.99 172.12 18.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.944 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB2' ' HZ ' ' A' ' 52' ' ' PHE . . . -62.67 -46.29 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.034 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.13 -36.58 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 111.115 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -66.1 -42.84 88.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.18 0.514 . . . . 0.0 110.476 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.16 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.661 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.1 pt-20 -60.61 -37.52 81.67 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.085 -174.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.37 -39.11 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 111.365 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -72.87 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.156 0.503 . . . . 0.0 110.121 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.7 m-30 -65.5 -31.54 72.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.248 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 66.4 mttm -68.56 -33.71 74.57 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.95 177.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -44.33 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.91 -52.7 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.906 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.22 -46.66 89.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.535 -177.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.44 -36.88 82.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.92 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.09 -26.98 63.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.541 . . . . 0.0 110.568 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.9 OUTLIER -85.44 -37.59 19.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 176.194 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.09 -0.27 28.41 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.002 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.508 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 1.7 p -86.3 109.86 19.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.357 0.599 . . . . 0.0 111.434 -177.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -110.23 101.58 10.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.39 176.77 16.25 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.398 -0.905 . . . . 0.0 111.83 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.53 107.86 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.405 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 73.4 m95 -67.98 103.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.911 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.53 116.19 22.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.314 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' OH ' ' HD3' ' A' ' 50' ' ' LYS . 34.9 t80 -98.78 119.91 38.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -95.1 120.44 35.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -76.75 167.18 22.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.323 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 76.96 -43.0 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.035 0.934 . . . . 0.0 111.147 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.7 p -89.67 -16.62 30.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.72 0.295 . . . . 0.0 110.568 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.2 mmtt 60.37 42.69 14.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 4' ' ' LYS . 27.5 p -113.54 124.39 52.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.5 m-85 -95.91 112.09 23.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.474 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 40.6 m -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.41 102.78 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 170.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.461 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 7.6 m -92.72 100.63 13.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.422 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.01 102.99 11.33 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.58 29.57 3.58 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.767 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -79.55 -31.93 42.08 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.664 ' HE1' ' HG3' ' A' ' 10' ' ' LYS . 27.9 p-80 -132.78 145.86 51.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.551 175.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -74.68 139.13 43.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -91.33 -176.03 4.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.895 -169.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.433 ' HE1' ' HE1' ' A' ' 65' ' ' MET . 58.3 t-80 -75.16 114.01 13.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.724 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -142.05 8.74 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -86.58 114.56 23.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.163 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.433 ' HE1' ' HE1' ' A' ' 62' ' ' HIS . 19.7 mmt -134.85 95.62 3.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.908 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -113.39 -1.1 14.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 109.95 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.74 132.06 70.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.43 0.633 . . . . 0.0 111.377 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -146.74 -39.02 0.21 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.827 175.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.81 160.9 14.73 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.915 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 36.9 mtm -89.95 146.61 24.26 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 122' ' ' LYS . 7.1 p -90.44 166.66 13.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.335 0.588 . . . . 0.0 111.926 -174.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -140.83 131.37 25.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.699 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 1.014 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.7 mm? -105.32 152.27 23.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 1.3 tmmt? -128.23 109.4 11.44 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.079 0.466 . . . . 0.0 109.981 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 144' ' ' VAL . 0.8 OUTLIER -84.74 130.6 35.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.654 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.482 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -124.58 168.42 13.15 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.517 -174.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 30.5 m-80 62.62 31.13 16.94 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -169.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 115' ' ' ALA . 39.6 tp -79.75 142.41 35.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.993 -174.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.3 p -86.39 141.98 28.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -80.67 59.25 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.717 0.77 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -147.56 16.0 1.13 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.502 -1.226 . . . . 0.0 107.864 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.42 HG23 HD11 ' A' ' 78' ' ' LEU . 92.3 m -102.65 118.43 36.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.911 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.722 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.6 m -94.26 156.75 38.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.51 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.564 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.9 Cg_endo -50.2 -50.69 12.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.953 2.435 . . . . 0.0 112.796 177.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.2 -34.22 71.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.722 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -53.12 -56.58 15.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.719 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.548 HD21 ' HE2' ' A' ' 91' ' ' PHE . 22.2 mt -74.49 -36.14 63.26 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.035 -177.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -55.58 -50.34 70.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -54.96 -41.28 70.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.71 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 86' ' ' THR . 4.3 t -74.83 -55.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.0 111.321 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.548 ' HE2' HD21 ' A' ' 87' ' ' LEU . 35.4 m-85 -64.05 -36.06 82.78 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -171.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HA ' HG12 ' A' ' 97' ' ' VAL . 13.0 pt-20 -63.14 -12.67 29.19 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -72.82 -37.18 67.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.427 . . . . 0.0 110.392 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -83.45 -33.95 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.431 -173.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.22 179.93 34.48 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -83.73 98.17 9.53 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.6 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.4 p -91.72 121.7 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.765 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.18 -45.37 6.62 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.97 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -136.49 155.2 50.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.411 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.25 125.53 66.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.473 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 2.2 t80 -85.7 -60.02 2.14 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.124 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.725 HG12 ' HB3' ' A' ' 115' ' ' ALA . 10.6 mt 41.62 75.1 0.65 Allowed Pre-proline 0 N--CA 1.469 0.483 0 O-C-N 124.324 1.015 . . . . 0.0 110.254 -173.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.582 ' HB2' ' HG2' ' A' ' 151' ' ' ARG . 90.8 Cg_endo -84.89 164.12 11.82 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.951 2.434 . . . . 0.0 113.654 -170.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -128.81 -33.21 2.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.316 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.684 ' HA ' ' HA ' ' A' ' 153' ' ' PRO . 8.8 t70 -132.1 142.9 49.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.168 0.187 . . . . 0.0 110.651 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.716 ' HD3' ' HB2' ' A' ' 107' ' ' TYR . 3.5 tmt_? -155.86 -77.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.025 177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.716 ' HB2' ' HD3' ' A' ' 106' ' ' ARG . 25.3 m-85 -144.67 -77.37 0.21 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 152' ' ' PRO . 33.2 p -120.95 158.46 27.67 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -174.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.944 ' HA ' ' HB3' ' A' ' 152' ' ' PRO . 14.3 mmmm -75.83 78.94 2.75 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.214 0.531 . . . . 0.0 110.829 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -78.27 -29.66 48.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.107 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.811 ' H ' ' HG3' ' A' ' 152' ' ' PRO . 16.0 m -151.27 -159.38 1.02 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 112' ' ' ARG . 22.2 mmt180 -109.71 -82.68 0.57 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.441 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -129.28 116.55 2.2 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.313 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.573 ' HZ ' ' HA ' ' A' ' 151' ' ' ARG . 19.2 p90 -154.22 169.32 23.91 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.725 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -141.19 144.15 34.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.799 0.333 . . . . 0.0 111.489 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 35.7 m-85 -98.84 142.23 30.62 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 73' ' ' LEU . 2.8 m -128.32 133.49 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.852 175.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.526 0.203 . . . . 0.0 111.169 -170.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.791 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 15.6 m-85 -102.67 165.91 10.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.478 ' O ' ' HA ' ' A' ' 70' ' ' MET . 79.0 t60 -61.9 -67.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.276 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.518 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 1.2 t70 -129.71 -175.92 3.75 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.316 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.602 ' HA ' HG23 ' A' ' 71' ' ' THR . 75.8 tttt -68.85 -32.01 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.518 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 29.4 ptt180 -55.45 -36.48 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.791 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 8.7 m-20 -77.29 -37.53 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.133 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.457 ' HB1' HD12 ' A' ' 73' ' ' LEU . . . -73.28 -41.53 63.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.411 -174.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.474 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 50.8 mt-10 -67.21 -39.96 86.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.202 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.2 -43.65 78.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.719 0.771 . . . . 0.0 109.625 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.81 -52.71 7.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.519 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.741 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.04 -32.58 73.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.263 . . . . 0.0 111.194 -176.005 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.433 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 21.5 t70 -68.49 -37.91 80.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.202 0.525 . . . . 0.0 109.874 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.86 -56.21 5.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.792 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.529 ' HA ' ' HB1' ' A' ' 135' ' ' ALA . 65.7 mtp -84.9 0.27 51.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.48 -169.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -67.29 93.11 0.3 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.674 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 104.81 40.08 2.22 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.343 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.529 ' HB1' ' HA ' ' A' ' 132' ' ' MET . . . -111.4 119.26 38.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.397 0.279 . . . . 0.0 110.774 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.619 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 41.3 t -87.23 118.36 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.147 0.975 . . . . 0.0 111.309 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -107.43 -22.85 12.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.524 -174.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.35 -66.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.668 0.747 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -162.71 28.09 0.25 Allowed Glycine 0 CA--C 1.498 -0.994 0 N-CA-C 107.091 -2.403 . . . . 0.0 107.091 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.619 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.3 tpp180 -151.63 128.83 11.18 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 112.35 -1.925 . . . . 0.0 108.895 -170.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.674 ' HB2' ' HA2' ' A' ' 134' ' ' GLY . 1.5 pm0 -84.39 111.84 19.81 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -56.49 143.57 34.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.165 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.6 tpp180 -90.42 82.98 5.86 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 172.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 60.6 t -84.42 109.76 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.244 0.545 . . . . 0.0 110.377 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.28 179.3 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.975 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.3 mmt -73.41 141.33 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -101.45 170.66 8.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.359 0.6 . . . . 0.0 112.542 -173.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . 0.567 ' HG3' ' H ' ' A' ' 149' ' ' TYR . 13.6 tpt180 -150.98 -162.46 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . 0.567 ' H ' ' HG3' ' A' ' 148' ' ' ARG . 77.1 m-85 -101.24 93.43 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.235 0.54 . . . . 0.0 111.099 -175.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -170.41 134.14 3.04 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.737 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.869 ' HD2' ' HD2' ' A' ' 152' ' ' PRO . 18.6 tpt180 -163.04 125.95 1.73 Allowed Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.165 0.507 . . . . 0.0 110.586 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.944 ' HB3' ' HA ' ' A' ' 109' ' ' LYS . 15.9 Cg_exo -70.33 136.9 32.6 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.349 2.699 . . . . 0.0 112.35 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.684 ' HA ' ' HA ' ' A' ' 105' ' ' ASP . 3.0 Cg_exo -76.45 98.07 1.18 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.577 2.185 . . . . 0.0 111.169 172.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -103.76 23.68 12.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.811 0.815 . . . . 0.0 109.184 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 38.0 m -70.13 97.17 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.217 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 176.96 -173.81 0.11 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 -173.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -168.73 106.75 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.47 0.481 . . . . 0.0 110.056 167.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.768 -178.467 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.746 0.307 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -105.53 125.02 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.904 0.383 . . . . 0.0 110.076 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 17' ' ' THR . 27.7 m-85 -110.59 142.67 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.111 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.639 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.1 ttmt -112.98 127.52 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.067 0.46 . . . . 0.0 111.314 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD11 ' O ' ' A' ' 52' ' ' PHE . 43.1 tp -94.49 123.23 37.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 mm -98.84 104.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.644 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.6 mt -82.24 98.16 8.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.456 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 35.6 t-20 -100.69 57.73 0.91 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.4 -138.28 8.34 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.942 -173.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 49.2 mtpt -120.5 -59.41 1.77 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.336 0.589 . . . . 0.0 109.625 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.0 m -90.51 -28.79 18.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.417 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 37' ' ' ASN . 58.2 tp -109.41 116.96 32.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.114 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.22 97.44 3.6 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 173.02 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.644 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.89 170.37 29.98 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.915 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 5.1 mp0 -122.53 126.67 48.28 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -134.41 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 42.8 p -128.25 154.35 45.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.021 0.438 . . . . 0.0 111.324 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -136.46 143.19 43.73 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -85.26 75.39 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.24 136.7 32.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.006 -173.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 m -68.6 -31.43 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.154 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.42 163.39 32.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.541 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.97 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.07 72.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.493 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.0 m -73.0 -36.0 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.058 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.04 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.238 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.7 pt-20 -61.27 -37.49 83.35 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -51.3 -48.39 62.33 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.987 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.6 t -76.4 -38.05 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.183 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -61.59 -36.06 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 0.0 110.033 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -71.38 -37.61 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.12 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.06 -47.15 87.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.85 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -61.08 -50.09 74.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.44 -48.8 73.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -60.72 -38.95 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.87 -29.39 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.848 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB3' HD22 ' A' ' 12' ' ' LEU . 19.8 m-80 -90.14 -9.82 46.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.54 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.7 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.598 -0.81 . . . . 0.0 114.008 172.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -101.65 115.27 43.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.32 0.581 . . . . 0.0 111.036 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -126.7 107.46 10.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.87 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.03 -164.32 11.19 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.705 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.06 107.18 8.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -76.67 116.05 16.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.484 HG21 ' CG ' ' A' ' 64' ' ' HIS . 13.2 p -126.92 125.79 42.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.165 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -99.15 122.98 43.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.004 0.43 . . . . 0.0 109.98 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.02 115.7 28.36 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.76 -52.55 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.13 86.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -89.56 -10.98 44.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.26 32.66 12.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.328 0.585 . . . . 0.0 109.935 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.639 HG22 ' HB3' ' A' ' 4' ' ' LYS . 19.5 p -110.0 148.67 31.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.709 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' O ' HD11 ' A' ' 5' ' ' LEU . 60.3 m-85 -109.18 111.79 23.6 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.0 m -102.1 118.17 36.33 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -98.3 105.66 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.641 0.734 . . . . 0.0 109.5 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 4.8 m -93.52 108.46 20.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.971 -169.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -105.22 18.8 21.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 0.0 109.611 175.244 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.06 64.66 2.71 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.643 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 m -72.16 119.97 17.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.054 0.454 . . . . 0.0 111.256 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -164.32 -69.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.024 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -152.59 40.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.63 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -57.8 -64.41 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.065 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 68.22 -67.33 0.2 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.374 0.669 . . . . 0.0 112.047 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -134.2 166.4 22.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.07 -177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CG ' HG21 ' A' ' 44' ' ' THR . 57.5 t-80 -117.45 101.93 8.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.776 0.322 . . . . 0.0 111.268 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.8 ptp -122.29 4.53 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.296 0.57 . . . . 0.0 109.718 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -150.21 131.07 14.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.14 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 p -100.08 137.24 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 121.305 -0.158 . . . . 0.0 110.638 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 66.71 -75.52 0.06 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.923 0.764 . . . . 0.0 110.471 -175.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.19 54.16 2.64 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.068 176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -57.02 126.31 26.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.049 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 122' ' ' LYS . 14.0 p -102.96 149.24 24.73 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 19.7 m -115.8 138.88 50.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.907 HD13 ' HB3' ' A' ' 129' ' ' MET . 2.6 mm? -115.14 138.84 50.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.777 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.58 109.46 22.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.958 173.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.83 124.12 53.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 7.3 t70 -135.3 170.85 15.3 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.502 -167.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.91 27.26 15.99 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.806 0.813 . . . . 0.0 109.118 -171.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 137' ' ' LEU . 54.6 tp -79.05 151.67 31.33 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.203 -173.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.2 p -83.44 168.99 16.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.536 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.567 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 11.4 t80 -96.25 8.35 44.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.288 0.566 . . . . 0.0 109.98 -177.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -104.03 -3.02 25.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.18 0.514 . . . . 0.0 110.361 175.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.533 ' O ' ' HD3' ' A' ' 104' ' ' ARG . 95.1 m -73.26 122.55 22.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.346 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.769 ' O ' ' HB ' ' A' ' 86' ' ' THR . 37.9 t -91.17 151.65 43.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.463 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.602 ' HA ' HD12 ' A' ' 102' ' ' ILE . 5.4 Cg_endo -51.13 -44.2 43.97 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.673 2.249 . . . . 0.0 111.903 173.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.87 -31.16 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.659 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.769 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -59.11 -59.26 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.65 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HG ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mp -61.73 -40.12 93.96 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.525 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -57.05 -45.95 82.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.908 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -68.72 -44.63 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.365 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 86' ' ' THR . 4.1 t -73.36 -44.72 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.857 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.715 ' HE1' ' HG ' ' A' ' 87' ' ' LEU . 67.2 m-85 -73.19 -31.29 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.0 pt-20 -64.64 -13.74 55.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.737 0.303 . . . . 0.0 111.755 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -66.07 -46.26 78.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.548 . . . . 0.0 110.268 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.85 -37.89 20.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.499 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.672 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -144.78 166.63 27.36 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.769 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -78.39 90.82 4.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.977 0.418 . . . . 0.0 110.395 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.3 p -86.15 133.44 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.117 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.7 -48.38 5.26 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.142 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -157.66 170.52 22.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.15 156.33 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.428 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' A' ' 103' ' ' PRO . 65.7 t80 -133.95 110.53 9.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.919 0.39 . . . . 0.0 110.04 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 84' ' ' PRO . 24.1 mt -115.53 104.11 53.45 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.451 ' HG3' ' CE2' ' A' ' 101' ' ' TYR . 15.6 Cg_exo -72.76 34.7 0.32 Allowed 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 124.104 3.202 . . . . 0.0 112.532 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.567 ' HD2' ' O ' ' A' ' 80' ' ' TYR . 33.1 ttp180 -76.89 65.07 2.52 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.548 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -158.5 90.75 1.04 Allowed 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.934 -0.307 . . . . 0.0 111.592 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.459 ' C ' ' HD3' ' A' ' 106' ' ' ARG . 0.0 OUTLIER 71.14 -55.34 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.564 171.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -61.35 -32.2 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.562 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.4 p -84.08 -72.28 0.47 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 50.7 tttm 64.52 -79.72 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.886 0.741 . . . . 0.0 111.763 175.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -161.68 83.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.3 t -171.46 -64.71 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.171 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -127.13 104.37 7.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.677 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -96.52 87.61 0.96 Allowed Glycine 0 N--CA 1.442 -0.916 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 44.8 p90 -130.45 145.79 51.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.432 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -140.67 167.1 22.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.899 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -131.29 149.85 52.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.34 0.59 . . . . 0.0 111.461 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.668 HG23 ' HB2' ' A' ' 73' ' ' LEU . 11.5 m -131.35 139.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.455 176.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 118' ' ' ARG . 31.5 ttt180 -111.18 108.95 18.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.485 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.528 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 49.0 m-85 -92.27 168.73 11.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.076 0.465 . . . . 0.0 111.513 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.512 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 5.7 t60 -74.1 -56.71 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.861 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.642 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 19.9 t70 -129.91 174.53 9.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.576 ' HA ' HG21 ' A' ' 71' ' ' THR . 82.3 tttt -65.98 -29.4 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.642 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 3.4 ptm180 -53.17 -38.95 63.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.672 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.1 m-20 -75.74 -37.76 59.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.13 -177.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HB2' ' OG1' ' A' ' 71' ' ' THR . . . -66.83 -43.87 82.61 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.82 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 41.9 mt-10 -68.95 -32.03 71.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.27 -44.88 82.34 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.644 0.735 . . . . 0.0 109.45 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.55 -48.11 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.36 -172.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.907 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -58.13 -37.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 -176.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.689 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 13.1 t70 -76.06 -45.36 34.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.3 -44.0 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -171.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.807 ' HG3' ' HB1' ' A' ' 135' ' ' ALA . 31.1 ttm -86.12 -6.42 59.01 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -168.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.05 80.33 0.94 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.538 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 129.59 10.44 2.94 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.086 -170.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.807 ' HB1' ' HG3' ' A' ' 132' ' ' MET . . . -96.85 139.94 32.15 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 122.489 0.316 . . . . 0.0 111.022 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.62 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.4 t -96.5 119.36 44.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.255 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.745 ' HB3' HD23 ' A' ' 142' ' ' LEU . 1.4 pt? -107.3 -31.2 8.3 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.809 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -153.93 51.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.35 73.01 Favored Glycine 0 C--O 1.229 -0.195 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.642 -174.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.62 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.4 OUTLIER -148.7 130.42 15.05 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 122.948 0.499 . . . . 0.0 110.07 -178.025 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.681 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 3.2 mp0 -78.98 114.16 17.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 169.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.2 mm? -49.98 132.24 22.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.517 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.454 ' HD3' ' HB3' ' A' ' 76' ' ' ASP . 44.0 ttt180 -91.28 99.56 12.52 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.771 HG12 HD11 ' A' ' 73' ' ' LEU . 10.4 t -111.15 125.43 68.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.143 0.497 . . . . 0.0 110.264 -170.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -127.73 139.41 52.7 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.677 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.1 ttt -72.88 117.24 14.35 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . -119.94 82.25 1.86 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.182 0.515 . . . . 0.0 111.021 -176.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -80.11 86.23 5.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.2 0.524 . . . . 0.0 110.086 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -68.57 -41.63 79.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.082 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 79.75 172.07 43.1 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.749 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 151' ' ' ARG . 40.5 mtm180 64.0 92.31 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 121.04 0.448 . . . . 0.0 111.283 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.53 118.56 5.65 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.624 2.216 . . . . 0.0 113.08 -175.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.57 109.5 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.859 2.372 . . . . 0.0 110.544 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 25.1 t70 60.07 -98.24 0.08 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.96 -173.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 44.2 t 175.92 -41.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -123.11 -28.5 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.36 164.32 12.89 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.351 0.523 . . . . 0.0 111.533 176.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.385 176.749 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -80.66 110.86 16.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.625 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -106.25 134.86 48.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 177.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.517 ' HB3' HG23 ' A' ' 51' ' ' THR . 33.5 ttmt -108.61 135.14 50.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 111.506 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 46.9 tp -100.68 125.34 47.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.02 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.4 mm -103.68 99.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.748 HD23 HD12 ' A' ' 12' ' ' LEU . 4.3 mp -85.35 102.48 13.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.663 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 10.1 t-20 -94.07 51.61 1.53 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.611 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -88.0 166.08 35.13 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.39 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -80.85 -36.66 31.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 0.0 109.872 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -97.26 -48.7 5.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.748 HD12 HD23 ' A' ' 7' ' ' LEU . 2.1 tm? -110.56 103.46 12.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.37 0.605 . . . . 0.0 110.419 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.0 tttm -114.86 113.27 23.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.57 172.93 29.49 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.812 -1.185 . . . . 0.0 113.276 -174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.25 110.22 8.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.7 t -136.42 156.29 48.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.632 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 72.5 p -123.03 166.32 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -151.92 142.15 22.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -80.14 94.68 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.357 0.598 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.78 151.61 23.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.583 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -86.47 -27.44 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.836 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.31 164.84 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.937 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.59 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.65 -33.48 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.716 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -69.49 -41.66 75.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.092 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.27 -50.13 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.514 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 pt-20 -57.59 -33.58 68.34 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.459 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -61.16 -46.13 91.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.24 0.543 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -71.99 -38.27 63.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.444 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.0 m-30 -64.82 -34.91 79.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.116 177.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 96.4 mttt -67.17 -41.54 85.77 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.24 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.9 -42.56 94.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.23 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.422 ' HD1' HD22 ' A' ' 7' ' ' LEU . 25.1 t80 -62.82 -50.66 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.35 -49.61 73.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.399 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -67.07 -35.2 79.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.278 -175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.86 -40.99 88.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -72.97 -34.81 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.36 -19.38 5.68 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.19 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.82 115.78 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.403 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -125.54 109.07 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.26 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.68 -168.61 11.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.859 -173.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 24.3 tp10 -71.47 124.55 24.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -89.75 98.48 11.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.172 0.511 . . . . 0.0 110.883 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -106.99 110.63 22.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.506 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.418 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 34.9 t80 -100.9 137.56 39.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.983 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.15 124.93 49.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.713 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 49' ' ' THR . 10.1 t70 -82.21 177.31 8.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.2 -43.61 0.55 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.698 0.799 . . . . 0.0 110.908 -174.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 47' ' ' ASP . 77.1 p -90.76 -25.36 20.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.625 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.8 mmtt 63.03 46.04 4.95 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.289 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 4' ' ' LYS . 22.3 p -115.33 130.95 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.614 -177.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 49.6 m-85 -102.63 112.77 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.594 173.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.6 m -99.89 112.72 24.97 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 8.6 p -106.17 105.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.692 0.758 . . . . 0.0 109.707 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.663 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 29.5 m -93.79 123.04 36.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.503 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.611 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 14.6 tt0 -80.97 56.83 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.262 0.553 . . . . 0.0 111.044 -175.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.3 5.45 9.42 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.323 175.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 m -106.79 99.61 9.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.205 0.526 . . . . 0.0 111.081 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -103.02 94.44 5.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.233 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -66.26 -46.84 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.584 -171.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -92.72 -108.17 0.11 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.445 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.994 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 88.6 m-70 -139.2 164.81 28.82 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -63.15 109.12 1.42 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.491 . . . . 0.0 110.756 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.8 m80 62.5 22.3 13.18 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.073 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.994 ' HB2' ' HB2' ' A' ' 62' ' ' HIS . 64.0 mtt -130.05 76.71 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.25 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -75.01 -27.55 60.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.1 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.49 124.64 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.681 173.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.56 111.65 20.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.371 0.605 . . . . 0.0 110.384 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' A' ' 118' ' ' ARG . . . 148.07 84.14 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.446 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 31.8 mmt -91.31 -66.97 0.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 -174.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 122' ' ' LYS . 0.9 OUTLIER -75.31 121.79 22.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.175 -178.029 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 4.4 m -101.06 131.62 46.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.181 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.729 ' HB2' HG21 ' A' ' 117' ' ' VAL . 3.3 mm? -108.45 145.07 35.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.939 177.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.568 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 14.0 tptp -106.27 114.26 28.28 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.098 177.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.68 121.79 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.93 -178.09 4.06 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 54.96 35.32 24.28 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -171.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD12 HG22 ' A' ' 82' ' ' THR . 24.8 tp -89.3 154.96 19.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.597 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.5 p -86.59 155.93 20.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -72.2 -16.03 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.292 0.568 . . . . 0.0 110.233 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.447 ' HD2' ' OD1' ' A' ' 138' ' ' ASP . 5.1 ptp180 -95.47 13.67 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.318 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.444 HG21 HD11 ' A' ' 102' ' ' ILE . 88.6 m -82.78 121.11 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.375 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.846 ' O ' ' HB ' ' A' ' 86' ' ' THR . 18.8 m -97.53 154.5 37.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.671 ' HA ' HD13 ' A' ' 102' ' ' ILE . 50.7 Cg_exo -52.94 -43.52 56.03 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.323 2.015 . . . . 0.0 112.88 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.88 -25.91 66.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.846 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -54.65 -56.89 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.977 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.2 mt -70.4 -30.94 67.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.359 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 84' ' ' PRO . 94.9 mtt180 -55.12 -53.79 51.48 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 89' ' ' ARG . 40.6 ttp-105 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.482 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.672 HG12 ' HE1' ' A' ' 132' ' ' MET . 2.2 t -74.11 -47.78 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.082 0.468 . . . . 0.0 111.244 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.591 ' HE2' HD22 ' A' ' 87' ' ' LEU . 37.9 m-85 -71.12 -36.51 72.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.363 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HA ' HG11 ' A' ' 97' ' ' VAL . 10.4 pt-20 -58.83 -20.53 51.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -67.85 -42.21 81.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.267 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.3 -39.44 20.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.29 -175.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -143.58 166.92 26.76 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.87 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -81.66 86.44 6.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.612 . . . . 0.0 110.521 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -76.6 141.35 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.351 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.66 -35.48 1.4 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.046 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -150.53 119.36 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 111.047 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.87 156.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.801 0.334 . . . . 0.0 110.223 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -136.5 94.54 3.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.038 0.447 . . . . 0.0 110.274 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.671 HD13 ' HA ' ' A' ' 84' ' ' PRO . 23.2 mt -105.7 98.38 17.57 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 176.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.61 -177.62 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.075 2.517 . . . . 0.0 113.595 -172.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.83 93.14 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.023 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -71.16 172.84 8.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.819 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.559 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 7.3 ppt_? -73.77 -4.59 35.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.481 . . . . 0.0 110.825 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -84.59 -31.63 24.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.4 p -130.04 156.87 43.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.84 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.442 ' HB3' ' H ' ' A' ' 110' ' ' GLU . 32.1 mmtp 58.39 -145.69 0.55 Allowed 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.614 174.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -99.27 -4.89 30.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.435 -178.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.559 ' OG ' ' HA ' ' A' ' 106' ' ' ARG . 31.3 m 71.69 118.98 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.091 0 O-C-N 123.966 0.791 . . . . 0.0 111.386 -177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.47 ' HG3' ' CG2' ' A' ' 102' ' ' ILE . 3.5 mpt_? 69.76 -106.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.782 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.36 -50.73 4.06 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.881 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -146.84 162.52 38.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 168.0 28.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.604 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.7 m-85 -126.88 152.32 47.22 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.991 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 73' ' ' LEU . 9.2 m -136.47 137.99 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 71' ' ' THR . 79.2 mtt180 -118.8 128.56 54.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.328 0.585 . . . . 0.0 112.008 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 56.9 m-85 -107.76 170.27 8.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.515 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -54.9 -65.23 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.152 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.5 t70 -130.68 169.16 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.943 -176.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.622 ' HA ' HG22 ' A' ' 71' ' ' THR . 41.7 tttm -61.66 -26.38 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.62 0.248 . . . . 0.0 110.508 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 18.8 ptp180 -59.2 -34.94 72.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.067 0.461 . . . . 0.0 110.517 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 15.3 m-20 -79.29 -31.55 43.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.312 0.577 . . . . 0.0 109.956 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.23 -40.07 46.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.29 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 42.0 mt-10 -70.63 -32.83 70.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 0.0 110.818 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.72 -41.7 97.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB2' ' HD1' ' A' ' 91' ' ' PHE . . . -80.23 -52.86 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.291 -173.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.697 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.47 -33.73 73.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.738 0.304 . . . . 0.0 111.174 -175.289 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.475 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 12.1 t70 -74.81 -45.52 42.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.0 110.502 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.1 59.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.138 -174.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.672 ' HE1' HG12 ' A' ' 90' ' ' VAL . 27.4 tpp -74.55 -18.33 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -175.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.483 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 30.2 t70 -73.42 82.05 1.43 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.726 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 130.98 19.02 1.3 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.44 -170.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.477 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -107.72 114.58 28.64 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 122.502 0.321 . . . . 0.0 111.398 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.914 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.7 t -82.46 94.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.915 0.388 . . . . 0.0 110.216 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.572 HD21 ' O ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -83.94 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.578 0.704 . . . . 0.0 110.532 -178.076 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.5 ' N ' HD13 ' A' ' 137' ' ' LEU . 4.2 t70 -160.68 -71.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.917 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.0 25.53 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.914 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -163.16 165.18 24.81 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.726 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 26.3 mt-10 -96.69 14.48 24.83 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.946 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.563 ' H ' ' HG2' ' A' ' 140' ' ' ARG . 1.9 mm? 51.63 -166.76 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.677 -171.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.483 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 12.1 tpp180 -146.67 93.37 2.28 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 168.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 22.0 t -105.08 115.27 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -129.69 168.35 16.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 53.6 tpp -71.69 122.88 21.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 74' ' ' LYS . . . -116.49 103.76 10.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.182 0.515 . . . . 0.0 110.946 -177.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 148' ' ' ARG . 37.6 ttp180 -97.41 122.85 40.92 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -69.02 111.26 4.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.389 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -66.92 -50.71 45.15 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 151' ' ' ARG . 20.3 ttp85 -85.33 117.17 68.22 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 171.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -59.43 117.32 4.04 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.328 2.018 . . . . 0.0 110.627 173.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.85 104.33 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.866 2.378 . . . . 0.0 112.905 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.51 139.14 40.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.058 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 30.9 p -98.69 -37.32 9.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.793 0.806 . . . . 0.0 108.941 173.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -154.12 136.37 14.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.534 -1.212 . . . . 0.0 107.805 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 174.46 138.48 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.884 0.373 . . . . 0.0 110.453 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.5 m . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.488 -0.768 . . . . 0.0 109.495 176.749 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -81.6 112.05 18.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' THR . 49.1 m-85 -100.94 149.06 24.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.235 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 51' ' ' THR . 27.8 ttmt -111.86 136.34 51.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.171 0.51 . . . . 0.0 111.089 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 30' ' ' PHE . 60.3 tp -102.96 123.98 47.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.957 176.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 48.7 mm -104.05 101.85 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.802 HD23 HD13 ' A' ' 12' ' ' LEU . 4.1 mp -89.64 100.12 12.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.858 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.412 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.4 t-20 -97.74 49.49 1.03 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.46 ' HA3' HG23 ' A' ' 39' ' ' VAL . . . -83.07 -170.7 46.47 Favored Glycine 0 N--CA 1.44 -1.055 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.745 -174.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -89.25 -49.18 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.018 0.437 . . . . 0.0 110.434 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 m -104.18 -10.25 18.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.904 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.802 HD13 HD23 ' A' ' 7' ' ' LEU . 1.5 tm? -134.07 118.71 18.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.7 tttm -142.77 96.75 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.162 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.0 28.41 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -123.42 126.06 46.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -139.23 165.01 28.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.364 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 60.2 p -137.1 163.89 29.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.359 . . . . 0.0 111.239 -175.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -154.97 146.54 23.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.694 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.26 99.56 10.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.2 149.59 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.976 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.89 -23.8 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.758 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -154.56 158.26 39.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.408 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.06 84.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.641 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -66.62 -27.28 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.7 m -72.5 -46.93 52.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.872 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.442 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.4 pt-20 -61.58 -34.07 74.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -175.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 28' ' ' LYS . 30.2 mmmt -68.0 -37.96 82.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.361 . . . . 0.0 110.76 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t -72.17 -34.69 50.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.433 0.635 . . . . 0.0 109.823 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 5' ' ' LEU . 22.2 m-30 -66.84 -34.97 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.989 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.03 -35.9 79.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.27 -48.56 81.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.101 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' HD1' HD22 ' A' ' 7' ' ' LEU . 29.4 t80 -60.14 -51.12 70.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.432 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -63.11 -36.49 83.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.33 -36.81 77.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.62 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.2 m-80 -84.05 -8.97 58.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.768 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.44 18.49 52.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.534 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.527 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.7 p -121.42 129.0 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.141 0.496 . . . . 0.0 111.789 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.94 104.51 3.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.98 -151.27 8.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.888 -173.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 39.3 tt0 -70.03 96.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 77.6 m95 -68.85 112.08 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.845 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.41 114.34 16.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.44 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 49.0 t80 -98.75 131.72 44.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.296 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -111.67 116.54 30.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.362 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.44 -20.81 59.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.099 -176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -53.67 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.973 0.416 . . . . 0.0 110.847 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -86.45 -2.21 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.527 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.55 34.11 18.02 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.52 0.512 . . . . 0.0 110.422 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 24.0 p -115.21 143.31 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' HD13 ' A' ' 5' ' ' LEU . 62.8 m-85 -109.34 111.78 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 166.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 59.1 m -103.17 124.81 49.29 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 121.336 -0.146 . . . . 0.0 110.768 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.74 103.45 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 170.64 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 29.5 m -86.55 100.34 12.33 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.62 166.63 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.055 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 58' ' ' SER . . . 136.35 -7.72 4.02 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.312 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 57' ' ' GLY . 46.0 t 76.19 -40.09 0.38 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.319 0.648 . . . . 0.0 111.481 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 74.49 -40.06 0.44 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.8 0.84 . . . . 0.0 111.102 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.2 t60 62.2 38.46 13.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.268 0.556 . . . . 0.0 110.514 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -89.23 -14.52 35.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.46 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -80.1 109.04 14.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.864 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -121.29 108.89 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 66' ' ' ASP . 53.0 t-80 -83.01 106.33 14.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.797 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 52.8 ttm -89.5 90.81 8.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.17 0.509 . . . . 0.0 110.676 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 6.2 p-10 -116.73 10.12 14.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.935 175.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.89 161.86 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.702 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -171.65 167.82 6.42 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.536 ' CA ' ' HB3' ' A' ' 118' ' ' ARG . . . -121.88 73.35 0.37 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.8 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.418 ' HE2' ' HA ' ' A' ' 70' ' ' MET . 33.8 mmt -96.84 -59.57 1.78 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.723 0.296 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.5 m -92.57 121.54 34.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -105.9 123.81 48.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.084 0.469 . . . . 0.0 111.513 -173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' A' ' 125' ' ' ALA . 3.3 mm? -93.55 156.23 16.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.802 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.887 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 11.3 tmtt? -127.26 109.85 12.24 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.758 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 2.3 m -100.71 138.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.581 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.49 178.7 6.78 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.12 29.55 17.59 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.785 0.802 . . . . 0.0 109.041 -170.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD12 HG23 ' A' ' 82' ' ' THR . 19.6 tp -73.8 133.45 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.11 -172.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -70.09 152.85 43.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.05 0.452 . . . . 0.0 111.682 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.809 ' HD2' ' HB3' ' A' ' 111' ' ' SER . 52.5 m-85 -82.74 21.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.488 -170.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HD3' ' OD2' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -133.97 9.91 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.147 0.498 . . . . 0.0 110.231 175.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.661 ' HG1' HD22 ' A' ' 137' ' ' LEU . 54.2 m -78.85 112.12 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.13 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.764 ' O ' ' HB ' ' A' ' 86' ' ' THR . 13.8 m -92.53 158.34 38.63 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.329 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -55.84 -43.25 58.98 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.361 2.041 . . . . 0.0 112.139 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.25 -34.43 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 109.89 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.764 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -61.37 -56.55 19.03 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.196 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.61 HD21 ' HE1' ' A' ' 91' ' ' PHE . 15.6 mt -69.24 -37.43 77.97 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.649 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HB2' HG23 ' A' ' 100' ' ' VAL . 39.3 ttp180 -54.91 -51.24 66.65 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -56.76 -41.69 78.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.833 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 86' ' ' THR . 4.9 t -73.68 -49.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.943 0.402 . . . . 0.0 111.096 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.61 ' HE1' HD21 ' A' ' 87' ' ' LEU . 34.7 m-85 -71.31 -27.76 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.732 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.601 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -71.98 -6.93 45.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.95 0.405 . . . . 0.0 110.959 -179.548 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -78.27 -39.6 39.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.112 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.38 -35.4 25.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.836 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.23 175.79 31.54 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -91.41 99.27 12.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.02 0.41 . . . . 0.0 110.813 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.542 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 1.8 m -86.41 143.49 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.788 0.328 . . . . 0.0 110.288 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.79 -32.24 5.44 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.071 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -156.23 128.58 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.646 0.26 . . . . 0.0 110.583 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.548 HG13 HG12 ' A' ' 117' ' ' VAL . 27.2 m -109.94 142.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 103' ' ' PRO . 44.2 t80 -138.48 116.23 11.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.511 HG12 ' HB1' ' A' ' 115' ' ' ALA . 27.0 mt -116.03 88.42 21.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.871 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 74.4 Cg_endo -91.74 137.52 1.93 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.419 2.746 . . . . 0.0 113.929 -174.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 103' ' ' PRO . 13.2 tpt180 172.11 -29.01 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.877 175.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -75.61 -60.22 2.41 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.555 ' HG3' ' HD1' ' A' ' 107' ' ' TYR . 4.5 ppt_? -59.74 -29.21 68.0 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -166.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.555 ' HD1' ' HG3' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -123.07 122.58 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.588 178.067 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.6 p 49.81 67.44 0.9 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.26 -173.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 109' ' ' LYS . 20.0 ptmt -57.02 111.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.507 -171.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -110.09 -67.82 0.97 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 171.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.809 ' HB3' ' HD2' ' A' ' 80' ' ' TYR . 40.5 t 177.67 -91.0 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.968 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.578 ' HB2' ' HA ' ' A' ' 80' ' ' TYR . 27.0 mmt180 -137.82 152.66 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -158.94 -48.8 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.017 -1.087 . . . . 0.0 112.719 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.435 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 39.7 p90 -140.96 153.89 45.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.511 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -144.0 156.21 44.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.97 0.414 . . . . 0.0 111.31 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -113.76 142.07 46.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.797 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.548 HG12 HG13 ' A' ' 100' ' ' VAL . 21.2 t -131.82 117.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.122 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.536 ' HB3' ' CA ' ' A' ' 69' ' ' GLY . 84.3 mtt180 -102.54 122.26 44.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.799 0.333 . . . . 0.0 111.552 -174.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.757 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 44.8 m-85 -106.06 167.53 9.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -63.27 -62.91 1.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.661 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.778 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.0 m-20 -119.78 -178.92 3.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.084 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 49.5 tttm -72.34 -28.35 62.99 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.778 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 3.5 ptp180 -56.0 -37.85 69.67 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 176.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.757 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 12.8 m-20 -72.9 -37.3 67.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.954 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.584 ' HB3' HD21 ' A' ' 73' ' ' LEU . . . -74.84 -38.34 62.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.314 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.1 mt-10 -65.28 -46.85 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.216 -177.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.06 -32.36 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.998 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.86 -53.66 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.661 ' HG2' ' HE1' ' A' ' 146' ' ' MET . 0.0 OUTLIER -65.74 -30.08 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.293 . . . . 0.0 111.163 -174.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.559 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 21.8 t70 -73.71 -46.94 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.186 0.517 . . . . 0.0 110.064 177.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.25 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.601 -174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.739 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 57.8 mtp -92.16 1.89 56.93 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -164.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.76 84.2 2.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.627 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.43 27.44 2.85 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.003 -0.998 . . . . 0.0 111.303 -168.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -108.65 140.39 42.09 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 122.22 0.208 . . . . 0.0 111.042 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.699 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.9 t -95.69 111.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.808 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.58 -15.71 44.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.97 0.414 . . . . 0.0 110.24 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.56 ' N ' HD12 ' A' ' 137' ' ' LEU . 28.5 t70 -167.93 -68.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.048 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.35 32.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.844 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.699 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -160.43 138.01 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 122.501 0.32 . . . . 0.0 110.45 -178.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.678 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.9 mp0 -79.3 110.17 14.33 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -65.83 152.4 44.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.195 0.522 . . . . 0.0 111.325 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.504 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 21.1 ttm180 -99.51 94.05 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 75' ' ' VAL . 23.6 t -98.14 110.12 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.028 0.442 . . . . 0.0 110.169 -176.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -117.19 155.79 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.211 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.661 ' HE1' ' HG2' ' A' ' 129' ' ' MET . 14.4 mmt -66.89 117.6 9.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.887 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -79.8 81.4 6.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.441 0.638 . . . . 0.0 111.285 -174.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -95.96 -44.76 7.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 172.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -157.3 115.35 3.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.116 171.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -79.69 -8.34 87.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.316 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -99.94 121.74 53.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.785 0.326 . . . . 0.0 110.669 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.57 134.53 35.8 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.704 2.269 . . . . 0.0 111.722 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.91 -65.84 0.1 OUTLIER 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.572 2.182 . . . . 0.0 111.865 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -165.63 81.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.007 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 13.1 m -143.5 -173.46 3.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -47.01 150.67 0.73 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.493 165.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.33 119.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.029 0.918 . . . . 0.0 111.583 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 43.1 m . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.823 178.36 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.1 mmt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.138 0.494 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -84.32 91.82 7.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 75.4 m-85 -93.07 118.55 31.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.222 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HB3' HG21 ' A' ' 51' ' ' THR . 34.9 ttmt -112.2 136.99 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 63.6 tp -96.79 116.79 29.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -94.69 100.2 10.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.669 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.2 mp -87.54 99.5 12.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.314 -178.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -97.41 72.84 2.4 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.375 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.08 177.23 33.75 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 119.5 -1.333 . . . . 0.0 112.138 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -64.74 -42.07 95.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.019 0.437 . . . . 0.0 109.959 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -120.23 -41.23 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.764 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 1.9 tm? -85.08 114.98 22.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.054 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.669 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.8 tttm -134.59 112.3 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.182 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.35 167.43 29.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.457 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 27.0 mt-10 -140.98 99.59 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -137.08 147.51 46.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.099 0.476 . . . . 0.0 111.838 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.548 HG21 ' HB2' ' A' ' 4' ' ' LYS . 71.5 p -100.45 163.74 12.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.666 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -135.03 0.65 2.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.811 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' MET . 47.3 mt-10 36.41 73.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.876 -173.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . . . -86.08 153.17 22.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.113 -175.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -73.91 -30.84 29.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.058 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -134.66 162.72 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.932 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.48 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.03 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.4 m -70.29 -39.03 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.056 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . . . -62.78 -51.24 67.86 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.564 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 9.6 pt-20 -61.15 -39.11 88.85 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.811 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -54.79 -44.44 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.044 0.449 . . . . 0.0 111.471 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.25 -35.64 63.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.379 0.609 . . . . 0.0 110.42 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.1 m-30 -68.89 -30.95 69.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.318 177.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.44 -47.22 87.03 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.065 172.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -65.54 -30.14 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.596 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.62 -55.33 6.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.325 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.27 89.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.513 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.37 -39.51 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.605 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.71 -38.24 70.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.954 0.407 . . . . 0.0 110.828 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.764 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 31.1 m-80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.51 11.03 26.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.533 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.4 129.73 62.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.157 0.504 . . . . 0.0 111.411 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -136.54 86.93 2.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.238 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.61 -172.13 31.92 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.793 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.9 107.05 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.72 116.13 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 111.307 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -134.37 149.2 50.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.462 ' HH ' ' HE2' ' A' ' 3' ' ' TYR . 61.0 t80 -130.65 133.92 46.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.847 0.356 . . . . 0.0 110.689 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -97.06 115.62 27.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.671 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.027 0.441 . . . . 0.0 110.689 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.9 -68.11 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.208 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -82.99 -1.25 52.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 46.8 mmtm 61.5 32.53 18.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.325 0.583 . . . . 0.0 110.129 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 4' ' ' LYS . 7.7 p -108.26 139.63 42.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.023 -174.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -101.16 145.03 29.32 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -138.04 124.18 20.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.567 0.222 . . . . 0.0 110.8 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 m -99.08 108.62 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.745 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.8 m -91.82 98.23 11.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.381 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.27 1.32 6.39 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 171.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.81 8.58 72.1 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.729 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.8 m -107.3 27.24 9.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.96 -43.01 89.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.085 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.482 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 55.5 t-80 -87.24 120.37 28.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 22.8 m170 67.09 109.61 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.705 0.628 . . . . 0.0 109.833 -170.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -68.79 111.0 4.61 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.222 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 34.6 m80 -81.09 -177.45 6.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.04 -173.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 63' ' ' HIS . 39.7 m80 67.38 -159.99 0.23 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.206 -173.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -71.55 114.67 9.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.8 0.333 . . . . 0.0 110.801 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -84.42 99.67 10.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.703 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.79 5.8 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.567 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.67 153.43 35.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.24 0.543 . . . . 0.0 111.248 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.5 70.21 0.86 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.645 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.57 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 1.5 mpt? -55.45 132.16 47.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 173.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.607 ' HA ' ' HB3' ' A' ' 148' ' ' ARG . 11.1 m -82.08 97.81 8.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.245 0.545 . . . . 0.0 111.312 -172.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 m -87.11 153.31 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.584 ' CD2' ' HB3' ' A' ' 129' ' ' MET . 10.4 mt -100.54 153.16 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.865 174.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -109.87 113.42 26.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.923 172.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.589 ' HB ' HG22 ' A' ' 144' ' ' VAL . 1.3 m -99.36 127.19 52.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -129.46 179.42 5.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 62.84 23.04 13.76 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -171.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 82' ' ' THR . 19.4 tp -68.55 124.19 22.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.608 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -115.79 79.08 1.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -168.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.525 ' C ' ' HD2' ' A' ' 81' ' ' ARG . 3.6 m-85 60.91 170.14 0.1 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.174 171.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.525 ' HD2' ' C ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER 45.19 11.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 170.005 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 HD11 ' A' ' 78' ' ' LEU . 13.8 m -80.21 109.34 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.663 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.78 ' O ' ' HB ' ' A' ' 86' ' ' THR . 6.0 t -84.02 147.02 50.05 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.96 -57.31 2.44 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.439 2.76 . . . . 0.0 113.74 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.73 -23.22 67.07 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.624 0.25 . . . . 0.0 111.267 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -54.58 -50.7 67.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.894 174.088 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 22.9 mt -70.49 -43.71 69.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.739 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 -38.82 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.727 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.28 -45.46 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.318 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.646 HG11 ' HE2' ' A' ' 132' ' ' MET . 2.8 t -73.67 -42.99 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -176.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.655 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 61.4 m-85 -69.79 -34.89 74.34 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' CA ' HG12 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -65.7 -16.83 64.13 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.007 0.432 . . . . 0.0 111.463 -176.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.33 -41.01 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.295 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.499 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 83.3 m-85 -84.46 -43.69 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.609 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -147.95 179.94 24.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.364 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -79.49 92.67 5.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.452 0.167 . . . . 0.0 111.053 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.409 HG12 ' CA ' ' A' ' 92' ' ' GLU . 7.4 p -94.14 131.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.126 0.488 . . . . 0.0 109.782 173.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.52 -53.88 1.04 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.639 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.12 143.44 50.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.667 0.27 . . . . 0.0 110.67 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.485 HG12 HG12 ' A' ' 117' ' ' VAL . 13.2 m -129.59 142.93 42.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -135.9 122.68 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.513 HG12 ' HB2' ' A' ' 115' ' ' ALA . 59.9 mt -123.82 94.89 45.27 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.65 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.6 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 54.8 Cg_endo -97.11 -170.81 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.593 2.862 . . . . 0.0 113.827 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.786 ' HD2' ' HA2' ' A' ' 113' ' ' GLY . 36.7 ttm180 73.02 -43.54 0.57 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.389 1.076 . . . . 0.0 112.622 175.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -87.14 135.77 33.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.921 0.391 . . . . 0.0 111.242 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -143.66 -48.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.496 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.85 -61.62 1.36 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.954 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.4 t -171.93 156.69 4.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.01 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -133.72 146.89 51.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.054 0.454 . . . . 0.0 111.618 -176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -26.93 57.56 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 p -98.69 -174.57 2.83 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.198 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.02 157.28 17.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.786 ' HA2' ' HD2' ' A' ' 104' ' ' ARG . . . -101.73 176.27 26.04 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.428 -0.892 . . . . 0.0 112.677 -177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.6 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 52.0 p90 -145.0 151.81 39.16 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.513 ' HB2' HG12 ' A' ' 102' ' ' ILE . . . -138.37 161.42 36.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 111.449 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -122.69 140.57 52.72 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.738 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 73' ' ' LEU . 5.9 m -134.09 122.56 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.485 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -93.83 116.12 28.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.276 -172.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.57 ' O ' ' HB3' ' A' ' 70' ' ' MET . 49.2 m-85 -98.33 168.46 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 111.404 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -64.06 -62.32 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.996 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.611 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 34.7 t70 -137.22 172.14 13.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.862 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.963 ' HD2' ' HA3' ' A' ' 150' ' ' GLY . 51.6 tttm -55.68 -34.3 64.91 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.304 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.611 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.9 ptp180 -57.0 -35.55 69.34 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.003 0.43 . . . . 0.0 111.177 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.35 -36.75 45.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.477 0.656 . . . . 0.0 109.819 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.37 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.321 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 51.8 mt-10 -64.25 -49.91 70.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.697 0.284 . . . . 0.0 110.534 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 1.7 t70 -53.96 -39.02 65.59 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.848 0.832 . . . . 0.0 109.525 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.514 ' HB1' HD12 ' A' ' 73' ' ' LEU . . . -80.31 -51.58 8.72 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.285 -174.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.698 ' HG2' ' HE3' ' A' ' 146' ' ' MET . 0.0 OUTLIER -64.27 -29.63 70.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 -174.113 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.499 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 10.2 t70 -74.34 -48.89 25.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.517 . . . . 0.0 110.193 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.37 -48.51 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.523 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.655 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 30.6 tpp -69.25 -20.21 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.454 -172.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.82 84.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.631 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 131.3 9.38 2.67 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.855 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.68 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.12 127.5 38.7 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 122.966 -0.138 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 15.0 t -98.25 98.32 7.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.416 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.557 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -79.49 -18.01 52.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -177.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.557 ' N ' HD13 ' A' ' 137' ' ' LEU . 31.3 t70 -153.09 -70.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -147.56 28.94 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.56 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.633 ' HD3' ' HB3' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -160.64 133.87 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.783 0.433 . . . . 0.0 110.184 -178.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.68 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.6 mp0 -69.58 115.72 9.15 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -59.73 136.34 57.97 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.93 90.51 7.92 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.589 HG22 ' HB ' ' A' ' 75' ' ' VAL . 24.4 t -102.13 131.58 49.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.196 -170.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -131.24 176.72 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.331 -171.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.698 ' HE3' ' HG2' ' A' ' 129' ' ' MET . 16.1 mmt -80.29 117.66 21.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.003 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.48 -38.95 11.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 110.817 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . 0.607 ' HB3' ' HA ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -101.38 144.8 29.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.317 176.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -66.14 120.8 13.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.963 ' HA3' ' HD2' ' A' ' 122' ' ' LYS . . . -70.2 167.07 49.75 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 175.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.648 ' HB3' ' O ' ' A' ' 150' ' ' GLY . 40.6 ttt180 78.57 122.23 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -173.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.98 123.84 13.36 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.167 2.578 . . . . 0.0 112.621 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.6 75.12 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.015 2.476 . . . . 0.0 111.592 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.558 ' HB3' ' HB2' ' A' ' 157' ' ' HIS . 9.9 t70 -145.48 142.09 28.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.28 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.5 m -76.2 -15.1 60.11 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -172.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . 0.412 ' ND1' ' OD1' ' A' ' 154' ' ' ASP . 0.1 OUTLIER -134.62 18.75 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.334 0.587 . . . . 0.0 111.021 178.079 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.558 ' HB2' ' HB3' ' A' ' 154' ' ' ASP . 15.3 m-70 -133.37 106.43 7.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.429 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.031 -179.767 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -85.39 103.9 14.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -97.42 137.25 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.607 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.673 ' HB3' HG23 ' A' ' 51' ' ' THR . 34.7 ttmt -110.87 142.97 42.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.53 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 30' ' ' PHE . 60.1 tp -110.52 120.99 44.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.247 175.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.95 99.67 9.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 5.0 mp -80.41 99.6 8.05 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -96.04 33.05 1.78 Allowed 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -74.2 162.28 54.14 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.237 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -87.01 -25.08 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.063 0.458 . . . . 0.0 109.895 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -92.3 -13.68 29.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.089 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.612 HD21 HD23 ' A' ' 7' ' ' LEU . 19.3 tp -164.93 121.93 1.54 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.197 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.5 tttm -114.7 115.05 26.47 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 171.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.92 157.27 27.2 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.163 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -127.57 106.09 8.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -133.42 163.35 29.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.506 0.193 . . . . 0.0 110.755 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 4' ' ' LYS . 67.2 p -124.1 169.2 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.628 0.251 . . . . 0.0 111.171 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -149.1 151.88 35.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.077 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.3 97.89 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.27 137.8 47.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.233 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -84.74 -40.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 33.6 m-20 -106.24 157.44 17.58 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -38.7 81.74 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.93 -38.56 91.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.784 175.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.493 ' OG1' ' HB2' ' A' ' 22' ' ' ASP . 26.3 m -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 110.404 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.21 -49.77 58.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.246 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 10.2 pt-20 -64.36 -26.45 68.48 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.46 -176.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.21 -50.7 72.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.324 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.3 -40.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.568 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HB3' HD21 ' A' ' 5' ' ' LEU . 23.2 m-30 -64.36 -31.58 72.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.261 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -72.49 -35.02 68.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.97 -48.34 74.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HD1' HD22 ' A' ' 7' ' ' LEU . 29.5 t80 -60.65 -47.95 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.15 -49.49 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.407 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.44 -38.99 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.601 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -86.13 -12.29 50.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.14 24.55 24.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.966 170.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG23 ' HA3' ' A' ' 9' ' ' GLY . 2.9 p -109.97 136.78 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.106 0.479 . . . . 0.0 111.165 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.26 141.03 34.0 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.28 -163.94 17.19 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 119.566 -1.302 . . . . 0.0 112.859 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.52 98.92 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.376 -0.412 . . . . 0.0 109.961 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -68.7 100.04 1.09 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.216 0.531 . . . . 0.0 110.498 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.92 112.68 21.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.58 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 29.6 t80 -100.44 128.31 46.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -97.57 115.76 28.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.4 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 3.5 p-10 -77.92 -14.1 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.47 -174.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.32 -58.05 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -93.07 0.04 57.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.575 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 61.26 45.23 9.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.673 HG23 ' HB3' ' A' ' 4' ' ' LYS . 28.7 p -119.55 125.99 50.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.853 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.441 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 64.6 m-85 -90.63 145.25 24.99 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -136.06 122.66 20.91 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.85 104.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 172.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -89.06 100.27 13.08 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.784 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 45.6 tt0 -95.1 145.27 25.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.148 -178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.49 46.52 2.52 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.193 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 t -106.89 15.78 25.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.891 0.377 . . . . 0.0 110.812 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -112.48 -65.37 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.184 -0.323 . . . . 0.0 110.97 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.5 m80 61.13 -164.37 0.24 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.647 0.592 . . . . 0.0 110.756 -176.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -123.82 139.44 53.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -156.56 119.88 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.902 0.382 . . . . 0.0 111.857 -175.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 25.9 m80 69.5 25.97 5.25 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.684 172.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -87.21 95.27 9.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.42 106.2 10.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.679 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -100.12 135.73 41.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.703 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.46 ' HB ' ' HB2' ' A' ' 70' ' ' MET . 29.9 m -122.72 154.36 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.018 0.437 . . . . 0.0 111.244 -177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -97.4 -68.69 0.79 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.42 19.79 5.62 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.698 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.46 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 1.6 mpt? -69.46 101.87 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.148 0.499 . . . . 0.0 110.761 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.9 p -72.02 127.82 33.75 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.317 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 11.8 m -105.17 146.67 28.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.535 -176.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.787 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.6 mm? -113.25 146.9 38.57 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -112.8 117.03 31.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.119 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -103.0 129.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 173.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -130.84 170.37 14.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.188 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.1 m120 65.67 24.49 11.59 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -172.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.5 HD12 HG21 ' A' ' 82' ' ' THR . 35.5 tp -68.74 141.78 55.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.363 -172.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -67.7 142.37 56.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -77.33 14.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.83 12.33 6.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.966 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.512 ' HG1' HD21 ' A' ' 137' ' ' LEU . 85.0 m -70.03 128.43 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.29 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.723 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.6 m -99.85 152.32 37.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.647 ' HA ' HD11 ' A' ' 102' ' ' ILE . 52.8 Cg_exo -52.06 -45.39 39.22 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.092 2.528 . . . . 0.0 113.158 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.453 . . . . 0.0 110.02 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.723 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -52.47 -54.52 31.3 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.07 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.453 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 25.7 mt -75.36 -43.37 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.34 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -55.51 -42.96 75.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.452 ' HE ' ' HB3' ' A' ' 89' ' ' ARG . 8.3 ttp180 -51.29 -46.28 62.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.738 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 86' ' ' THR . 3.6 t -74.71 -49.89 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.33 . . . . 0.0 111.166 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' A' ' 87' ' ' LEU . 68.5 m-85 -63.75 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 -68.62 -7.33 32.02 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 111.595 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -75.99 -43.28 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.257 0.551 . . . . 0.0 109.786 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -83.24 -36.53 24.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.074 -173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.667 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -149.86 175.67 28.88 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.965 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -85.38 100.81 12.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.092 0.472 . . . . 0.0 110.81 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.486 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.7 p -96.44 134.33 34.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.263 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.4 -36.32 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.207 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -146.03 156.66 43.63 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.616 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 3.4 m -123.13 -55.91 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.188 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 80.9 t80 67.93 89.92 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.456 0.646 . . . . 0.0 110.808 -175.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.719 HG12 ' HB3' ' A' ' 115' ' ' ALA . 43.3 mt -103.22 99.01 13.22 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.608 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 101' ' ' TYR . 74.0 Cg_endo -90.11 134.59 2.15 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.043 2.495 . . . . 0.0 112.761 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.513 ' NH2' ' HA ' ' A' ' 83' ' ' SER . 5.3 mpt_? -106.21 101.1 10.6 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -76.71 97.69 4.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.084 0.468 . . . . 0.0 110.484 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.748 ' HA ' ' HG2' ' A' ' 110' ' ' GLU . 3.6 ppt_? -130.09 133.7 46.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.141 177.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.721 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 3.6 t80 157.88 -51.51 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 124.601 1.188 . . . . 0.0 108.468 171.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.478 ' O ' ' HB3' ' A' ' 109' ' ' LYS . 23.5 p -139.8 133.19 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.818 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER 73.68 -67.28 0.27 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.521 0.513 . . . . 0.0 110.974 177.448 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 51.6 mt-10 62.59 -77.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.409 0.684 . . . . 0.0 111.752 -178.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.0 m 69.88 -75.5 0.07 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.453 0.701 . . . . 0.0 112.037 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -135.23 158.76 43.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.942 0.401 . . . . 0.0 111.425 -172.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -100.64 142.32 15.77 Favored Glycine 0 N--CA 1.441 -1.002 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -141.71 156.71 45.61 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.719 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -145.0 154.53 42.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.924 0.392 . . . . 0.0 111.157 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.42 164.6 13.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.472 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.787 HG23 ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -144.99 135.5 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 171.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -118.62 113.77 21.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 110.975 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.486 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 72.0 m-85 -99.31 168.21 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -67.28 -44.09 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 110.725 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.66 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.9 t70 -148.28 170.64 17.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.389 -177.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 61.7 tttp -59.2 -28.05 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.66 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 13.5 ptm180 -50.75 -46.79 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.679 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.667 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.5 m-20 -79.39 -26.76 41.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.598 ' HB3' HD21 ' A' ' 73' ' ' LEU . . . -80.36 -35.61 35.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.007 -174.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.554 ' O ' ' HE1' ' A' ' 129' ' ' MET . 34.4 mm-40 -63.37 -48.19 78.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.4 -37.28 80.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.411 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -72.4 -53.13 13.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.869 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.554 ' HE1' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -64.48 -33.39 75.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.878 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.68 -42.79 73.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.77 -53.09 11.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.472 -173.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.654 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 62.3 mtp -89.46 -0.81 57.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.12 88.37 2.44 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.466 ' C ' ' HB3' ' A' ' 141' ' ' GLU . . . 111.63 38.05 1.5 Allowed Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.837 -168.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.654 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -125.41 114.32 18.69 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 122.549 0.339 . . . . 0.0 110.963 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.719 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 0.1 OUTLIER -82.54 124.68 39.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.089 0.471 . . . . 0.0 111.933 -177.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.93 -13.5 21.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.416 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.531 ' N ' HD13 ' A' ' 137' ' ' LEU . 23.2 t70 -160.92 -75.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.327 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -133.11 14.17 4.9 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.888 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.719 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 16.2 tpp180 -145.4 128.52 16.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.819 -0.191 . . . . 0.0 110.545 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.572 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 2.5 mp0 -71.81 104.73 3.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 167.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 137' ' ' LEU . 1.2 mm? -53.41 143.95 17.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.137 0.494 . . . . 0.0 111.96 -174.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 1.9 mmp_? -96.71 100.28 11.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 170.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 47.7 t -103.14 108.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.49 -174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -113.14 147.91 36.41 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.139 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.54 ' HE2' ' HB2' ' A' ' 125' ' ' ALA . 5.2 tpt -63.75 117.73 7.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.32 52.96 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.381 . . . . 0.0 111.428 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 58.38 -155.26 0.35 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.693 176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -108.29 115.56 30.35 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.261 0.553 . . . . 0.0 111.141 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -85.99 59.88 4.67 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 174.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -163.51 159.73 17.77 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -175.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.19 157.55 59.28 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.193 1.929 . . . . 0.0 110.278 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -47.84 110.21 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.2 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.868 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.5 m 65.74 17.34 10.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.176 173.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -116.01 -23.53 8.48 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.617 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -118.33 22.96 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.231 0.539 . . . . 0.0 110.422 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.768 178.178 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.559 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 46.8 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.645 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 28.4 tt0 -76.57 110.47 11.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -96.82 138.45 34.35 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HB3' HG21 ' A' ' 51' ' ' THR . 24.4 ttmt -107.39 141.34 38.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.06 0.457 . . . . 0.0 111.707 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 30' ' ' PHE . 53.5 tp -108.01 124.4 50.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.889 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.6 mm -100.85 106.7 19.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD21 HD11 ' A' ' 12' ' ' LEU . 5.0 mp -87.76 119.56 28.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.119 0.485 . . . . 0.0 110.157 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -116.41 47.89 1.35 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.755 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -77.66 179.72 50.64 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.615 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 42.0 mmtm -68.24 -46.93 69.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 109.978 176.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 m -105.92 -44.94 4.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.834 HD11 HD21 ' A' ' 7' ' ' LEU . 1.5 tm? -95.04 106.66 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.624 -174.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 53.0 mtpt -128.26 97.47 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.868 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.57 -176.02 22.39 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.2 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -109.9 153.27 24.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 t -163.52 158.35 20.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.49 HG22 ' HB2' ' A' ' 4' ' ' LYS . 73.4 p -140.07 159.22 42.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.334 0.587 . . . . 0.0 111.451 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.486 HG21 ' CE1' ' A' ' 30' ' ' PHE . 13.7 t -146.83 129.07 15.71 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.817 169.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 44.6 mt-10 -77.23 96.02 4.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.559 0.695 . . . . 0.0 109.458 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB3' ' HB ' ' A' ' 25' ' ' THR . . . -107.64 146.02 32.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.556 -173.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 m -75.91 -31.14 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 9.0 m-20 -129.21 159.88 34.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.822 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.12 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.032 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.42 -41.52 94.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.644 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.588 ' HB ' ' HB3' ' A' ' 20' ' ' ALA . 8.7 m -57.77 -44.41 86.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.373 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.77 63.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.735 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.83 -35.7 75.26 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.956 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 32.3 mmmt -62.31 -39.17 92.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 25' ' ' THR . 28.2 t -73.67 -38.0 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.334 0.588 . . . . 0.0 110.379 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.492 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.3 m-30 -67.51 -30.86 70.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.124 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.3 mttt -72.83 -34.2 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.886 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -61.39 -46.88 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.88 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HD2' HD23 ' A' ' 7' ' ' LEU . 8.7 t80 -63.13 -46.92 85.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.221 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.98 75.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.543 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -64.1 -35.74 81.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.48 -32.65 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.468 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.8 m-80 -88.74 -12.28 42.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.756 0.313 . . . . 0.0 111.261 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 31.88 12.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.33 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.497 HG11 HD22 ' A' ' 7' ' ' LEU . 3.7 p -119.44 128.39 75.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.169 0.509 . . . . 0.0 110.957 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -128.61 84.94 2.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.71 -179.41 22.87 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.272 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.69 113.12 8.39 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -71.56 117.15 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 p -127.54 114.12 17.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.306 173.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -99.31 125.17 44.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.1 0.476 . . . . 0.0 110.32 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.56 115.41 30.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.41 -37.41 71.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.07 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 111.533 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -104.22 -5.28 22.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.647 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.0 mmtm 58.47 39.21 25.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.367 0.603 . . . . 0.0 110.503 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 4' ' ' LYS . 13.4 p -113.95 136.08 53.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.861 -175.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.442 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.2 m-85 -102.62 128.7 49.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.405 173.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 m -116.87 124.53 49.7 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.512 0.196 . . . . 0.0 110.64 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.43 104.57 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 172.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 m -86.49 96.85 10.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.892 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.755 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 9.4 tp10 -88.49 -22.05 23.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.77 123.65 5.07 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.321 -0.854 . . . . 0.0 113.766 170.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.3 m -101.35 -7.24 23.14 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 168.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -84.24 113.15 20.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.586 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -152.86 129.84 11.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.013 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -134.03 126.81 30.97 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.007 0.432 . . . . 0.0 110.343 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -154.5 94.48 1.7 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.801 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.52 111.34 9.4 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.16 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -129.51 112.72 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.194 0.521 . . . . 0.0 111.378 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.8 ptp -113.72 -21.22 10.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.396 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 68.76 179.76 0.24 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.773 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.57 88.46 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.635 0.731 . . . . 0.0 109.951 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -79.83 126.59 31.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.214 -173.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.79 145.13 18.12 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.507 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 46.3 mtm -105.38 149.77 25.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.887 0.375 . . . . 0.0 111.375 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m -92.11 118.82 31.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.8 m -95.39 133.69 39.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.41 0.624 . . . . 0.0 112.526 -172.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.567 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -106.08 152.99 22.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.596 169.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.596 ' HD3' ' HB2' ' A' ' 114' ' ' PHE . 1.2 tmmt? -125.67 111.35 14.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG11 HG21 ' A' ' 144' ' ' VAL . 1.5 m -86.26 138.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.636 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 11.6 t70 -130.51 173.15 11.13 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 58.85 25.76 14.0 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.726 0.774 . . . . 0.0 109.565 -173.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.445 HD13 HD13 ' A' ' 142' ' ' LEU . 44.4 tp -80.95 148.95 29.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.198 -173.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 138' ' ' ASP . 3.8 p -73.59 156.39 38.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.167 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -78.58 -22.59 46.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.316 0.579 . . . . 0.0 110.071 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HD3' ' OD1' ' A' ' 138' ' ' ASP . 13.5 ptm180 -83.42 6.13 21.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.78 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.461 HG21 HD11 ' A' ' 102' ' ' ILE . 14.8 m -70.28 119.95 15.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.745 0.307 . . . . 0.0 111.401 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.805 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.4 m -94.0 152.52 40.53 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.09 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.498 ' HA ' HD13 ' A' ' 102' ' ' ILE . 9.7 Cg_endo -53.79 -45.91 37.58 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.004 2.469 . . . . 0.0 113.061 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.61 -25.46 63.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.805 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.9 m -54.66 -52.13 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.215 177.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.543 HD23 ' HE1' ' A' ' 91' ' ' PHE . 15.3 mt -71.36 -43.68 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.075 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -55.92 -44.93 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.517 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -53.81 -42.86 68.86 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.564 0.54 . . . . 0.0 111.571 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 86' ' ' THR . 4.6 t -74.21 -53.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.008 0.433 . . . . 0.0 110.987 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.543 ' HE1' HD23 ' A' ' 87' ' ' LEU . 50.6 m-85 -64.96 -31.98 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -7.51 40.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.696 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -75.45 -34.39 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.22 0.534 . . . . 0.0 109.844 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -83.05 -36.55 24.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.744 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -166.49 -170.69 31.71 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.218 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -82.9 98.89 9.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.738 0.304 . . . . 0.0 111.173 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.9 p -94.17 127.04 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.21 -22.07 7.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.326 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.3 119.25 7.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.135 0.467 . . . . 0.0 111.54 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.447 HG12 HG11 ' A' ' 117' ' ' VAL . 29.7 m -115.65 146.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.065 0.46 . . . . 0.0 110.529 174.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.518 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 90.7 t80 -135.54 112.17 10.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 84' ' ' PRO . 47.0 mt -118.26 108.96 41.18 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.97 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.96 -172.36 0.97 Allowed 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.472 2.115 . . . . 0.0 111.673 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -153.63 -60.88 0.14 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.116 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -142.31 109.94 5.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.854 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.579 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -171.38 -34.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.004 -179.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -89.86 104.42 16.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.411 -172.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.5 p 48.16 43.96 18.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.615 0.766 . . . . 0.0 112.938 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt 64.21 -78.84 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.371 0.668 . . . . 0.0 110.817 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.3 92.28 0.41 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.4 m -82.05 126.63 32.22 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.271 0.558 . . . . 0.0 110.567 -174.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -67.56 150.24 49.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.747 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.05 89.96 1.29 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.065 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.596 ' HB2' ' HD3' ' A' ' 74' ' ' LYS . 52.6 p90 -143.18 148.82 37.14 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 102' ' ' ILE . . . -145.75 163.5 34.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.518 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 61.5 m-85 -115.13 140.97 48.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.024 0.44 . . . . 0.0 110.725 -178.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.447 HG11 HG12 ' A' ' 100' ' ' VAL . 27.3 t -135.47 120.88 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.22 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' A' ' 70' ' ' MET . 86.2 mtt180 -110.64 121.08 44.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.596 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.8 m-85 -101.71 168.22 9.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.502 176.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -62.53 -53.47 54.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.774 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 32.3 t70 -132.13 168.72 17.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.957 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 55.2 tttp -60.48 -27.71 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.104 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.774 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.0 ptt180 -55.39 -41.7 73.01 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.011 0.434 . . . . 0.0 110.648 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.626 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 12.6 m-20 -78.86 -28.21 44.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.353 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.95 -38.65 36.59 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.32 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.56 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 43.7 mt-10 -64.58 -42.73 95.43 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 110.226 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.45 -42.15 77.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.89 -54.17 5.82 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.238 -173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.877 ' HG2' ' HE1' ' A' ' 146' ' ' MET . 0.0 OUTLIER -55.87 -38.58 70.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -174.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.765 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 15.8 t70 -72.05 -49.1 39.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.033 0.444 . . . . 0.0 110.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.4 62.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.291 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.799 ' HB3' HG23 ' A' ' 144' ' ' VAL . 86.4 mmm -87.27 -7.45 57.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.355 -176.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 13.46 0.71 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 122.781 1.276 . . . . 0.0 110.093 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.618 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . -161.22 34.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.655 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.606 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.62 130.37 52.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.668 0.27 . . . . 0.0 111.21 -176.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.842 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 10.0 t -96.88 102.87 14.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.659 0.266 . . . . 0.0 110.334 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.671 ' HB3' HD22 ' A' ' 142' ' ' LEU . 0.8 OUTLIER -89.58 -10.45 46.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.18 0.514 . . . . 0.0 110.348 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.439 ' HB3' HG22 ' A' ' 79' ' ' THR . 19.2 t70 -155.61 -75.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.765 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.53 15.73 2.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.592 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.842 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -154.89 176.75 12.1 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.618 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 33.4 mt-10 -101.08 117.41 34.97 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.148 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -58.78 138.34 57.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.615 178.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.636 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 20.9 tpp180 -92.92 80.65 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.799 HG23 ' HB3' ' A' ' 132' ' ' MET . 59.0 t -83.15 109.71 17.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.41 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -108.15 153.99 22.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.801 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.877 ' HE1' ' HG2' ' A' ' 129' ' ' MET . 10.9 mmt -67.75 117.69 9.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 170.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.62 14.03 29.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -172.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -92.39 -58.02 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.085 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -149.39 133.53 17.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.87 0.367 . . . . 0.0 110.128 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.88 153.5 8.38 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.445 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.449 ' HA ' ' HD3' ' A' ' 152' ' ' PRO . 99.6 mtt180 -92.08 135.25 27.37 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.941 0.37 . . . . 0.0 110.272 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 151' ' ' ARG . 20.1 Cg_exo -66.11 122.75 10.35 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.644 2.229 . . . . 0.0 111.34 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.58 -37.14 98.12 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.838 2.359 . . . . 0.0 112.008 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -146.79 155.95 42.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.845 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.9 m -80.47 -33.48 36.63 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -173.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -164.34 66.85 0.15 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.407 0.622 . . . . 0.0 112.244 -173.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -124.92 27.56 6.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.003 0.43 . . . . 0.0 110.597 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.228 179.659 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 50.9 tpp . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.86 0.362 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.22 96.9 8.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.128 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 44.0 m-85 -82.27 141.55 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -106.19 117.84 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.817 -177.082 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 30' ' ' PHE . 47.6 tp -92.47 122.84 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -102.26 103.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.447 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.659 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 13.2 mt -83.09 124.88 30.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.216 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -136.88 115.12 11.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.914 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.04 -171.51 41.86 Favored Glycine 0 N--CA 1.436 -1.35 0 C-N-CA 118.926 -1.607 . . . . 0.0 113.529 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' HG3' ' OE1' ' A' ' 56' ' ' GLU . 41.8 mtpt -49.08 101.69 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.329 0.652 . . . . 0.0 112.058 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m 64.32 9.72 5.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.31 92.88 3.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.795 -0.566 . . . . 0.0 110.623 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 57.2 mttm -141.88 89.99 2.23 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.568 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.659 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.47 179.49 26.21 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.83 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -128.56 132.38 48.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 t -144.31 170.84 15.22 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 6.0 p -132.36 171.33 13.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.932 0.396 . . . . 0.0 111.025 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -153.41 147.07 25.12 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 172.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -83.03 96.8 8.46 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.37 140.3 52.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.103 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.3 -22.17 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.351 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -144.45 156.26 44.11 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.874 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.76 74.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.511 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -69.55 -46.12 67.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.312 0.577 . . . . 0.0 110.185 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.82 88.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.753 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -62.28 -31.88 72.52 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.731 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -65.41 -36.71 84.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.089 0.471 . . . . 0.0 110.99 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 t -76.22 -41.99 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.18 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' HB3' HD12 ' A' ' 5' ' ' LEU . 23.3 m-30 -61.89 -36.97 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.21 -36.64 83.56 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.47 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -63.05 -47.71 81.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.97 -48.81 80.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -50.35 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.575 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.12 -39.84 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.295 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.73 -36.82 81.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.13 -34.44 59.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.0 8.67 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.163 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -102.98 94.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.836 0.826 . . . . 0.0 110.697 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -101.21 120.03 39.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.489 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.1 -173.11 18.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.209 -174.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -83.18 125.44 31.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -92.58 112.79 24.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.104 0.478 . . . . 0.0 111.731 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.521 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 25.1 p -106.29 144.15 33.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.513 172.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 51' ' ' THR . 60.1 t80 -130.49 131.92 45.38 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.816 0.341 . . . . 0.0 110.679 -177.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.11 115.35 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.735 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -66.38 -30.41 70.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.085 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.73 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.759 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.558 HG22 ' OG1' ' A' ' 51' ' ' THR . 1.6 t -113.5 1.87 15.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.388 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 59.1 40.42 21.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.318 0.58 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 4' ' ' LYS . 18.2 p -106.24 139.74 40.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.125 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.438 ' HD2' ' HE2' ' A' ' 30' ' ' PHE . 48.0 m-85 -113.28 112.55 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.395 171.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.521 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 13.4 m -98.81 118.92 36.65 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -97.25 104.77 16.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 m -95.41 96.85 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.045 -170.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.543 ' OE1' ' HG3' ' A' ' 10' ' ' LYS . 4.1 tm-20 -104.79 102.09 11.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.15 147.57 18.61 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.631 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.7 p -67.58 120.56 14.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.964 0.411 . . . . 0.0 110.827 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -96.6 -47.81 5.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -160.99 144.47 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.999 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -103.36 88.67 3.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.542 0.687 . . . . 0.0 109.472 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -129.29 115.67 17.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.979 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -142.83 116.25 9.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.924 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -96.52 114.15 25.78 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.496 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 70.3 mtm -93.31 93.41 8.18 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.09 132.31 41.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.214 -173.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.54 130.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.982 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.29 143.97 29.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.774 -174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.05 170.81 46.74 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.014 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.494 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 3.6 mpp? -90.88 169.14 11.17 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m -93.19 88.49 6.07 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 37.6 m -81.3 129.36 34.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -174.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.818 ' HB2' HG21 ' A' ' 117' ' ' VAL . 2.9 mm? -90.25 156.65 18.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.047 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.981 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 9.6 tmtt? -125.62 106.52 9.81 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.574 HG22 ' HB2' ' A' ' 115' ' ' ALA . 1.5 m -94.21 137.09 23.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 5.7 t70 -131.86 -179.12 5.2 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.27 -175.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.514 ' N ' HD21 ' A' ' 77' ' ' ASN . 0.8 OUTLIER 70.04 -66.75 0.26 Allowed 'General case' 0 CA--C 1.52 -0.181 0 O-C-N 124.167 0.917 . . . . 0.0 108.615 -170.074 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.56 ' HG ' ' OG1' ' A' ' 82' ' ' THR . 11.7 tp 58.11 -174.95 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.938 0.774 . . . . 0.0 111.545 170.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 138' ' ' ASP . 21.1 p -108.59 -8.7 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.843 -0.536 . . . . 0.0 110.773 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 69.9 -30.62 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.553 0.741 . . . . 0.0 111.049 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' A' ' 79' ' ' THR . 6.3 ptm180 -84.58 6.01 25.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 173.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.56 ' OG1' ' HG ' ' A' ' 78' ' ' LEU . 5.3 m -62.38 151.0 38.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.431 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 86' ' ' THR . 23.2 t -130.98 143.26 48.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.691 ' HA ' HD11 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -43.63 -51.59 6.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.943 3.095 . . . . 0.0 114.302 -175.596 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.59 -29.96 71.14 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.671 ' O ' HG21 ' A' ' 90' ' ' VAL . 1.1 t -62.54 -39.09 92.49 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.668 0.271 . . . . 0.0 110.41 -176.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 ' HE1' ' A' ' 91' ' ' PHE . 56.9 mt -79.57 -36.55 38.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.67 0.271 . . . . 0.0 110.702 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.616 ' HG2' HG12 ' A' ' 100' ' ' VAL . 20.5 mtm180 -63.28 -29.84 71.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.387 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -71.61 -46.72 58.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.671 HG21 ' O ' ' A' ' 86' ' ' THR . 7.6 t -73.23 -52.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.84 0.352 . . . . 0.0 111.619 -175.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.569 ' HE1' HD23 ' A' ' 87' ' ' LEU . 37.7 m-85 -65.71 -32.34 73.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.549 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -61.98 -21.01 64.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 111.406 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.31 -38.53 89.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.429 0.633 . . . . 0.0 110.033 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -83.63 -43.18 15.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.724 -175.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.552 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -153.8 169.56 32.42 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -75.79 98.54 4.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.27 0.535 . . . . 0.0 110.962 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.464 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 6.0 p -90.88 138.76 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.001 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.76 -46.0 3.27 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.868 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -158.5 174.17 15.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 88' ' ' ARG . 15.5 m -125.79 -28.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.4 t80 69.62 -74.78 0.08 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.568 0.347 . . . . 0.0 110.825 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.791 HG12 ' HB3' ' A' ' 115' ' ' ALA . 38.7 mt 58.88 99.62 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.73 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -68.62 143.37 56.41 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.208 1.939 . . . . 0.0 110.891 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -94.79 134.77 37.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.26 0.552 . . . . 0.0 111.938 -173.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -76.71 76.66 3.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -169.97 -43.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.103 -172.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -79.3 176.32 9.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.923 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 t -69.81 115.95 9.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.697 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.84 175.07 12.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.159 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -118.17 -28.37 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.637 0.256 . . . . 0.0 111.461 -176.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.1 m -85.37 179.41 7.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.7 0.286 . . . . 0.0 110.844 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -80.5 169.69 17.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.237 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.79 76.69 1.54 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.769 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -94.04 -173.95 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.791 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -143.29 167.11 22.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.327 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -126.79 161.93 27.04 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.313 176.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.818 HG21 ' HB2' ' A' ' 73' ' ' LEU . 12.7 m -141.1 115.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 170.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 15.8 mtm180 -90.81 106.84 18.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -172.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.684 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 4.9 m-85 -97.24 154.77 17.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -54.97 -58.5 7.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.383 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.668 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 24.0 t70 -136.93 166.67 23.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.468 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -57.5 -30.78 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.712 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.668 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.5 ptt180 -54.45 -41.62 69.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.203 0.525 . . . . 0.0 110.362 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.684 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.1 m-20 -79.04 -38.55 36.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 73' ' ' LEU . . . -68.11 -35.79 78.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.319 -174.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.36 -32.55 68.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.62 -42.0 99.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.757 0.789 . . . . 0.0 109.042 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.04 -52.84 6.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.596 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.642 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -62.01 -35.97 80.15 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 -174.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.31 -42.23 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 110.161 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -53.5 9.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.507 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.618 ' HA ' ' HB1' ' A' ' 135' ' ' ALA . 78.7 mmm -76.87 -4.53 44.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.705 -166.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 25.6 t70 -72.85 81.49 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.713 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 127.82 11.28 3.28 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.772 -170.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.71 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.86 138.7 31.73 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.113 0.165 . . . . 0.0 111.054 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.677 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 9.7 t -102.32 110.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.859 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -90.11 -7.14 54.48 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.091 0.472 . . . . 0.0 110.971 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.554 ' HB3' HG21 ' A' ' 79' ' ' THR . 27.6 t70 -169.07 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.809 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -144.97 28.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -148.82 138.31 21.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.72 0.408 . . . . 0.0 110.253 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.713 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 43.9 mt-10 -83.83 112.1 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -58.57 137.29 57.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.537 ' HB3' ' HG3' ' A' ' 153' ' ' PRO . 22.5 mmt180 -90.8 82.0 5.73 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 172.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.476 HG23 HG11 ' A' ' 75' ' ' VAL . 38.5 t -87.92 114.52 26.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.712 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -126.57 148.99 49.68 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.1 ttm -70.6 117.34 12.0 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.981 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . . . -69.79 108.03 3.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 110.6 -175.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -102.86 -37.23 7.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.853 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -142.08 26.03 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.879 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 66.73 16.06 65.26 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.656 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 152' ' ' PRO . 34.0 mtp-105 -74.07 142.86 79.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.925 0.393 . . . . 0.0 111.856 -175.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.508 ' HA ' ' HZ2' ' A' ' 74' ' ' LYS . 2.6 Cg_exo -77.37 162.03 31.23 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 123.104 2.536 . . . . 0.0 110.598 167.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.537 ' HG3' ' HB3' ' A' ' 143' ' ' ARG . 97.8 Cg_endo -78.9 10.22 2.99 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.504 2.136 . . . . 0.0 112.375 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.21 170.07 16.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.511 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 12.2 p -86.93 -35.11 19.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -176.18 34.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.727 0.299 . . . . 0.0 110.936 -173.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -85.89 93.83 9.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.381 0.61 . . . . 0.0 111.392 -175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.903 177.023 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 53.76 93.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.294 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 17' ' ' THR . 3.8 m-85 -87.76 147.86 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.557 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.718 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 13.7 tppt? -107.94 127.55 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.899 0.381 . . . . 0.0 110.928 -178.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 30' ' ' PHE . 41.2 tp -97.52 125.27 42.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.946 173.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 15' ' ' GLU . 48.7 mm -106.41 103.2 15.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.5 mp -86.62 99.78 11.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.05 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.687 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.9 t-20 -99.24 48.95 0.95 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -92.3 -163.58 37.9 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.048 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -98.81 127.78 44.83 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m 71.89 -50.0 0.69 Allowed 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.572 0.545 . . . . 0.0 111.252 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 HD21 ' A' ' 7' ' ' LEU . 2.3 tm? -94.87 100.79 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 109.951 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 37.8 mtmm -126.92 107.34 10.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.436 174.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.64 -174.35 21.62 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.392 -0.909 . . . . 0.0 111.527 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.718 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -148.85 141.87 24.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 174.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -158.02 173.46 16.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.248 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 66.7 p -130.93 154.97 47.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.476 0.655 . . . . 0.0 112.418 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.456 HG21 ' CE1' ' A' ' 30' ' ' PHE . 8.8 t -133.55 134.67 43.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.593 170.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.06 72.58 4.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.424 0.631 . . . . 0.0 109.55 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.42 141.39 30.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.902 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.09 -8.71 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 18.4 t70 -150.81 153.57 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.69 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -71.61 -24.42 61.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 32.3 m -71.78 -42.48 67.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 0.0 109.591 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.78 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.354 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 10.7 pt-20 -59.75 -36.33 76.42 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.758 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.85 -33.94 77.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.414 . . . . 0.0 111.169 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.34 -40.95 35.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.272 0.558 . . . . 0.0 110.232 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.623 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.2 m-30 -68.07 -35.83 78.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.192 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -76.19 -21.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.088 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -73.84 -46.24 46.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -60.34 -47.27 86.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.412 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.07 86.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.54 -30.02 69.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 111.002 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -72.7 -45.9 56.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.425 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.57 -27.76 64.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.76 31.62 6.27 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.922 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.2 p -111.68 127.17 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.241 0.544 . . . . 0.0 110.994 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -124.37 114.02 18.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.621 176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -144.56 -176.96 19.03 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.849 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.01 120.9 15.6 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.536 0.334 . . . . 0.0 110.131 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -91.54 105.52 17.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.095 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.427 ' HG1' ' HB ' ' A' ' 53' ' ' THR . 11.3 p -115.88 120.96 40.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.126 174.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -111.21 128.22 55.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.059 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -99.77 121.34 41.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.794 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.33 -24.83 60.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.819 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -49.06 29.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 p -91.46 -7.47 50.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.842 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm 61.7 40.31 13.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.1 0.476 . . . . 0.0 110.498 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.635 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.2 p -113.45 126.89 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.019 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -97.32 112.45 24.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.427 ' HB ' ' HG1' ' A' ' 44' ' ' THR . 19.1 m -101.67 112.24 24.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.94 104.81 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.614 0.721 . . . . 0.0 109.393 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.687 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.2 m -102.49 111.07 23.21 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.526 -173.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.482 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 4.4 tm-20 -91.06 -63.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.946 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.23 -20.95 75.52 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.091 -176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.508 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 58.8 p 52.38 -170.19 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.654 0.782 . . . . 0.0 112.325 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 62.94 21.86 13.11 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.89 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -117.05 131.84 56.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.055 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -164.34 -169.75 1.88 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.362 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.56 156.71 22.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.238 0.542 . . . . 0.0 111.907 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -73.1 -37.26 66.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.496 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.634 ' HB2' ' OD2' ' A' ' 66' ' ' ASP . 9.8 m80 -113.61 -176.55 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 ptp -95.32 24.39 5.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.359 . . . . 0.0 110.773 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.634 ' OD2' ' HB2' ' A' ' 64' ' ' HIS . 1.2 p30 -64.89 -75.24 0.09 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 177.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 m 47.9 -170.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.363 1.065 . . . . 0.0 112.386 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -88.4 -44.37 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.88 104.29 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.883 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -64.73 138.93 58.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 122' ' ' LYS . 1.1 m -56.23 108.66 0.49 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 0.0 111.75 -167.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.5 m -105.89 149.14 26.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.159 -174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.92 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.2 mm? -115.62 145.66 42.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.218 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -113.59 113.47 25.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 m -96.78 134.02 36.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.25 175.65 8.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.79 24.85 14.74 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.856 0.836 . . . . 0.0 109.279 -172.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.469 HD13 HG21 ' A' ' 82' ' ' THR . 36.9 tp -84.83 158.72 20.58 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.563 -174.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 140' ' ' ARG . 25.5 p -101.06 142.81 31.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.992 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -76.23 78.9 3.02 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.751 0.786 . . . . 0.0 109.801 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -174.94 -25.64 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.393 -1.276 . . . . 0.0 107.794 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.475 HG22 ' CG2' ' A' ' 86' ' ' THR . 67.9 m -62.36 109.42 1.34 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.326 -1.307 . . . . 0.0 110.443 174.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.803 ' O ' ' HB ' ' A' ' 86' ' ' THR . 43.6 m -90.62 158.67 42.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.366 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.638 ' HA ' HD13 ' A' ' 102' ' ' ILE . 66.0 Cg_exo -49.52 -46.98 24.39 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.582 2.188 . . . . 0.0 113.362 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.85 -25.64 67.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.803 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.5 m -59.84 -56.36 22.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.388 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.58 HD22 ' HE2' ' A' ' 91' ' ' PHE . 20.8 mt -69.69 -39.26 77.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.06 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -51.53 -50.54 59.81 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.5 ttp85 -51.62 -47.88 63.49 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.859 0.724 . . . . 0.0 112.119 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 86' ' ' THR . 2.5 t -74.81 -45.0 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.733 0.301 . . . . 0.0 111.626 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.58 ' HE2' HD22 ' A' ' 87' ' ' LEU . 51.9 m-85 -71.67 -35.97 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -16.69 61.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.813 0.34 . . . . 0.0 111.772 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -66.28 -39.96 89.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 110.061 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -83.31 -44.52 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.248 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -148.42 -178.84 23.87 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.119 -1.039 . . . . 0.0 112.953 -177.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -83.72 94.66 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.78 132.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.3 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.82 -16.94 7.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.699 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.433 ' OD2' ' HD3' ' A' ' 118' ' ' ARG . 24.5 t70 -153.37 149.24 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 15.7 m -131.35 -51.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.762 0.315 . . . . 0.0 110.749 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 30.5 t80 59.85 83.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 84' ' ' PRO . 73.8 mt -95.96 103.98 15.19 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.25 80.82 1.55 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.92 2.414 . . . . 0.0 114.224 -168.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 104' ' ' ARG . 28.0 mtm180 -79.82 -32.97 40.71 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 166.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -108.65 133.3 52.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.705 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.492 ' HD3' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER 73.85 152.85 0.13 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.063 0.852 . . . . 0.0 111.001 -177.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.492 ' H ' ' HD3' ' A' ' 106' ' ' ARG . 91.5 m-85 70.51 176.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.561 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 t 173.46 155.01 0.11 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.693 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -176.09 81.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 174.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 67.81 -64.35 0.28 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.024 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.5 m -145.6 157.6 43.95 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.97 51.13 2.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.225 0.536 . . . . 0.0 110.347 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.31 34.34 4.89 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.756 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -142.64 144.12 32.65 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.605 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.2 162.09 41.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.349 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 91.6 m-85 -115.48 158.7 22.18 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.73 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.92 HG23 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -142.86 132.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.433 ' HD3' ' OD2' ' A' ' 99' ' ' ASP . 5.5 mpt_? -113.94 111.41 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.106 0.479 . . . . 0.0 111.018 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.692 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.2 m-85 -94.28 168.56 10.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.281 175.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -66.88 -54.44 22.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -134.87 179.47 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.948 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.562 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 53.7 tttp -64.02 -33.09 74.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.169 -177.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -42.12 63.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.692 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 17.1 m-20 -79.06 -32.73 44.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.353 0.597 . . . . 0.0 110.259 -176.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.497 ' HB3' HD21 ' A' ' 73' ' ' LEU . . . -76.55 -38.92 54.25 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.303 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.733 ' HG2' ' HE2' ' A' ' 146' ' ' MET . 32.2 mt-10 -68.92 -42.7 76.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.224 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.54 -36.34 69.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.87 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.6 -53.73 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.244 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.543 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.21 -31.29 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.568 0.223 . . . . 0.0 111.217 -174.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.515 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 15.8 t70 -70.89 -39.03 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.52 -48.4 22.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.57 -177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.735 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 34.8 ttm -89.87 -9.45 48.96 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.63 85.99 0.9 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.72 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 118.0 23.22 3.66 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.515 -169.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.747 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -105.26 143.11 33.89 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 122.779 -0.248 . . . . 0.0 111.026 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.3 t -105.7 102.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.689 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.01 -5.21 53.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.384 0.612 . . . . 0.0 110.223 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.472 ' N ' HD11 ' A' ' 137' ' ' LEU . 21.4 t70 -157.03 -66.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.801 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -158.18 25.83 0.41 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.752 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.851 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -161.86 179.02 8.39 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.747 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 29.5 mt-10 -103.86 111.96 24.72 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.994 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.689 HD23 ' HB3' ' A' ' 137' ' ' LEU . 1.9 mm? -57.99 138.31 56.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.894 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -98.75 85.49 3.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.171 0.51 . . . . 0.0 109.953 176.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 132' ' ' MET . 19.1 t -87.94 108.47 18.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.032 -176.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -113.78 139.88 48.75 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.859 -176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.733 ' HE2' ' HG2' ' A' ' 126' ' ' GLU . 36.7 ttm -72.33 117.61 14.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.36 156.28 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.836 -170.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 69.83 -69.28 0.17 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.706 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -131.8 87.96 2.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.306 0.574 . . . . 0.0 110.093 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.619 ' HA3' ' HG2' ' A' ' 146' ' ' MET . . . 175.47 120.93 0.62 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 68.43 152.58 0.13 Allowed Pre-proline 0 N--CA 1.463 0.222 0 O-C-N 124.19 0.582 . . . . 0.0 109.557 -172.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.6 110.74 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.302 2.001 . . . . 0.0 112.154 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.54 -166.74 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.656 2.238 . . . . 0.0 111.683 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -86.38 127.42 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.893 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 19.2 m -127.85 9.88 6.44 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -100.0 -2.34 34.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.644 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -82.17 -46.51 13.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.922 0.391 . . . . 0.0 110.534 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.415 -179.517 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -86.43 112.06 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' THR . 9.6 m-85 -101.35 130.36 47.52 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HB3' HG23 ' A' ' 51' ' ' THR . 32.4 ttmt -104.67 130.92 52.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.018 0.437 . . . . 0.0 111.344 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 30' ' ' PHE . 54.0 tp -97.76 123.45 41.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -94.94 101.49 12.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.885 HD23 HD23 ' A' ' 12' ' ' LEU . 4.7 mp -81.64 106.61 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -104.79 37.55 2.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.39 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -90.66 172.7 37.67 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.344 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 1.012 ' HD2' ' HA ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -80.25 -33.44 37.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.559 175.699 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -79.91 -30.13 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.055 0.455 . . . . 0.0 111.02 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.885 HD23 HD23 ' A' ' 7' ' ' LEU . 17.0 tp -147.77 124.42 11.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.72 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.671 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.2 tttp -126.15 83.9 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.4 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.04 -178.52 24.14 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.016 -1.087 . . . . 0.0 112.475 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.8 mp0 -116.89 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -147.95 156.89 43.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 22.1 p -134.11 163.16 30.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 0.0 112.103 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.4 t -151.42 152.96 33.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.562 174.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.22 94.86 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.0 109.586 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.7 148.53 26.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.059 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.64 -13.35 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.68 155.06 35.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.888 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.27 87.58 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.292 0.37 . . . . 0.0 111.457 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.2 -37.09 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.065 0.459 . . . . 0.0 110.249 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -66.24 -35.32 80.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.188 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -50.78 61.74 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.985 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.3 pt-20 -61.2 -36.7 80.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -51.4 -48.85 62.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.271 0.557 . . . . 0.0 111.189 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.35 -35.18 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.968 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.799 ' HB3' HD21 ' A' ' 5' ' ' LEU . 22.2 m-30 -65.88 -31.65 72.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.119 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 25.7 mtpp -71.47 -29.21 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.357 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -66.32 -48.79 69.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.253 0.549 . . . . 0.0 109.667 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' HD1' HD22 ' A' ' 7' ' ' LEU . 29.0 t80 -62.05 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.486 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -66.27 -41.47 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -67.52 -35.48 79.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.837 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.34 -35.95 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.25 0.547 . . . . 0.0 110.23 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.4 ' CG ' HD22 ' A' ' 12' ' ' LEU . 47.1 m-80 -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.98 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.84 36.37 3.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.324 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.2 p -121.77 94.65 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-O 121.879 0.847 . . . . 0.0 111.624 174.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -103.33 85.03 2.41 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.71 -169.71 31.27 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.06 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -73.48 111.64 8.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -74.62 107.36 6.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.092 0.472 . . . . 0.0 112.002 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.0 p -115.91 143.3 45.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.726 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -126.72 136.05 51.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 0.0 110.988 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -111.17 125.59 53.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.252 175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -86.77 -23.17 25.52 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.598 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.86 77.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.1 p -100.85 -2.8 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.319 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 59.93 39.92 19.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.406 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.637 HG23 ' HB3' ' A' ' 4' ' ' LYS . 35.7 p -110.44 142.35 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.226 0.536 . . . . 0.0 111.752 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -105.89 145.17 31.61 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 m -132.74 120.05 21.14 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.22 103.5 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 121.22 0.534 . . . . 0.0 109.708 173.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -91.36 96.32 10.46 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.623 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 43.1 tt0 -82.71 131.91 35.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.18 104.56 0.42 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.874 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 1.012 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 19.9 t -60.43 -55.14 37.14 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -176.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -138.24 108.09 6.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.869 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -63.95 -29.43 70.6 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 175.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -101.17 86.12 2.96 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 168.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -60.71 -67.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.502 -172.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -82.1 114.34 20.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.029 0.443 . . . . 0.0 110.245 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -74.82 159.09 32.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.92 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 ptm -98.96 -176.13 3.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.801 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -129.96 -168.28 1.94 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 p -125.9 119.29 54.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.982 0.42 . . . . 0.0 111.436 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 54.14 -153.61 0.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.009 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.19 -58.26 0.67 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.993 -178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.482 ' HE1' ' HD3' ' A' ' 118' ' ' ARG . 48.9 mtm -129.8 149.47 51.53 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 122' ' ' LYS . 2.5 p -88.17 127.51 35.43 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.135 0.493 . . . . 0.0 112.01 -175.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -105.34 131.62 52.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.636 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.837 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.5 mm? -109.08 145.57 35.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.27 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.701 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 18.5 tptp -111.63 113.36 25.7 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.024 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.93 125.11 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -121.39 176.02 5.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.449 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.682 ' HA ' ' HB2' ' A' ' 112' ' ' ARG . 44.3 m-80 62.6 19.87 11.61 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 124.019 0.825 . . . . 0.0 109.052 -172.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.562 HD11 HG23 ' A' ' 82' ' ' THR . 26.5 tp -62.86 133.09 54.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.654 -174.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 4.2 p -64.47 147.52 52.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.996 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.07 -33.73 76.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.567 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -93.0 29.21 1.89 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.865 0.364 . . . . 0.0 111.863 -175.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.562 HG23 HD11 ' A' ' 78' ' ' LEU . 17.6 m -83.35 118.02 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.424 176.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.6 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.4 p -93.89 153.67 40.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 122.326 -0.234 . . . . 0.0 110.469 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -51.48 -41.57 59.54 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.002 2.468 . . . . 0.0 112.822 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.32 -36.22 79.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.116 0.484 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.713 ' O ' HG22 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -58.35 -57.95 10.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.3 -177.116 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD21 ' HE2' ' A' ' 91' ' ' PHE . 14.2 mt -64.3 -42.2 96.48 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.172 -175.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -55.9 -51.03 69.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -61.91 -37.64 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.61 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 86' ' ' THR . 13.4 t -73.4 -50.08 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.849 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 25.3 m-85 -65.5 -34.89 79.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.104 -175.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.5 pt-20 -70.57 1.59 5.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -72.01 -45.06 62.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.016 0.436 . . . . 0.0 110.144 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.456 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 70.7 m-85 -84.79 -41.12 16.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.419 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -137.79 -174.17 13.26 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -102.25 94.83 5.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.204 1.002 . . . . 0.0 110.865 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.0 p -88.82 134.57 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.979 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.49 -35.29 1.61 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.449 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.94 110.13 12.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.201 0.501 . . . . 0.0 111.152 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.3 150.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.702 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.05 103.45 4.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.329 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.1 mt -104.15 98.08 13.07 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.5 162.11 43.62 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.248 2.632 . . . . 0.0 113.804 -172.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -82.73 -176.33 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.248 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.482 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 4.3 p30 -70.47 137.63 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.919 175.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.51 -55.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -90.58 -75.13 0.47 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.708 -178.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.2 p -121.89 128.3 51.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.825 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.482 ' HD3' ' HB3' ' A' ' 105' ' ' ASP . 29.2 ttpp -140.58 -37.67 0.45 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.407 . . . . 0.0 110.12 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.23 -43.07 74.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.069 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.7 p -74.86 -67.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.411 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.682 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 5.6 ppt_? -162.16 153.62 18.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.716 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.96 169.93 40.94 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.439 175.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -146.9 154.9 41.84 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -153.84 167.24 30.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.857 177.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.9 m-85 -124.32 146.06 49.04 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.555 178.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.837 HG23 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -133.43 138.71 50.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.389 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.482 ' HD3' ' HE1' ' A' ' 70' ' ' MET . 26.9 ttm180 -117.12 115.44 25.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.0 112.322 -175.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.699 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 56.8 m-85 -96.53 170.76 8.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.627 175.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -70.64 -73.1 0.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.646 0.26 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.872 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 50.6 m-20 -109.21 179.75 4.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.9 0.381 . . . . 0.0 110.347 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.618 ' HA ' HG22 ' A' ' 71' ' ' THR . 46.0 tttm -67.81 -27.01 66.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.872 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 16.2 ptt180 -54.11 -42.93 69.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.904 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.699 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 14.3 m-20 -74.52 -36.41 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.565 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.56 -38.3 59.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.703 -173.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.475 ' O ' ' HE1' ' A' ' 129' ' ' MET . 38.6 mt-10 -62.98 -48.39 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.051 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 58.5 m-20 -59.83 -31.21 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.538 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.38 -54.44 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.624 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.81 -30.9 71.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 -173.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.474 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 30.5 t70 -74.23 -45.2 49.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.171 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.59 -42.86 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.658 ' HE3' HG11 ' A' ' 90' ' ' VAL . 29.3 tpp -76.59 -17.58 59.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.629 -172.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.21 91.57 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 141' ' ' GLU . . . 117.99 12.23 7.86 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.305 -170.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.73 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -100.68 126.36 47.2 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 122.996 0.519 . . . . 0.0 111.315 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 17.9 t -92.65 103.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.825 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.659 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -81.82 -12.48 58.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.396 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.505 ' N ' HD11 ' A' ' 137' ' ' LEU . 15.9 t70 -162.98 -72.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.324 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -136.38 10.99 4.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.225 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 3.1 tpm_? -146.31 135.89 23.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.886 -0.185 . . . . 0.0 111.077 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.73 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.4 mp0 -68.86 113.91 6.72 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 165.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.659 HD23 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -55.81 144.99 25.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.222 0.534 . . . . 0.0 111.493 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -100.51 91.24 4.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 132' ' ' MET . 21.4 t -104.23 117.44 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -124.85 162.68 23.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.403 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.432 ' HE2' ' HG2' ' A' ' 129' ' ' MET . 17.8 mmt -68.39 116.8 9.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 110.254 174.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . . . -99.9 174.77 6.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.535 -177.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -98.54 179.96 4.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.825 0.345 . . . . 0.0 110.733 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . 0.53 ' CE2' ' HD3' ' A' ' 153' ' ' PRO . 1.5 t80 -89.1 38.73 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.964 0.411 . . . . 0.0 110.631 -173.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.23 93.93 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.674 -0.694 . . . . 0.0 113.051 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.09 114.96 60.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.3 143.07 75.63 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.669 2.246 . . . . 0.0 112.126 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.53 ' HD3' ' CE2' ' A' ' 149' ' ' TYR . 87.7 Cg_endo -80.61 -22.15 6.79 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.718 2.279 . . . . 0.0 112.102 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.566 ' OD2' ' HB2' ' A' ' 157' ' ' HIS . 17.5 t70 -94.58 167.01 11.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.449 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 25.9 t -133.96 139.81 46.35 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.675 0.274 . . . . 0.0 110.371 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 78.07 -26.68 0.18 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.234 1.014 . . . . 0.0 113.64 172.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.566 ' HB2' ' OD2' ' A' ' 154' ' ' ASP . 34.9 m80 -73.43 94.94 2.14 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.845 0.748 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.725 177.064 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -87.18 102.62 14.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.97 0.414 . . . . 0.0 111.327 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -103.21 140.94 36.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.99 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HB3' HG23 ' A' ' 51' ' ' THR . 26.8 ttmt -118.17 138.08 52.55 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 111.707 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 30' ' ' PHE . 49.7 tp -99.44 119.91 38.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.958 173.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.627 HD13 ' HB3' ' A' ' 15' ' ' GLU . 46.4 mm -98.58 106.89 19.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.813 HD21 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.54 100.49 13.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.206 0.527 . . . . 0.0 110.374 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -98.93 51.51 0.97 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.574 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -80.89 177.04 54.53 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.241 -171.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -59.53 -41.8 90.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 m -124.89 -39.85 2.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.791 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.813 HD12 HD21 ' A' ' 7' ' ' LEU . 1.5 tm? -83.46 105.84 14.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.9 ttmm -120.89 97.12 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.755 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.62 -174.52 21.75 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.764 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.627 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -144.33 135.93 25.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.153 0.501 . . . . 0.0 111.032 174.405 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -138.63 156.13 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.8 p -126.81 152.77 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.098 0.475 . . . . 0.0 111.302 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' CE1' ' A' ' 30' ' ' PHE . 11.5 t -140.44 145.85 37.51 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 172.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -88.62 92.16 9.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.386 0.612 . . . . 0.0 109.695 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . . . -108.57 153.38 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.663 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -90.88 -22.63 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.9 t70 -136.01 151.1 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.39 94.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.439 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.78 -25.5 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.22 0.533 . . . . 0.0 110.278 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 28.3 m -73.81 -43.74 57.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.053 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . . . -63.24 -47.09 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.672 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.8 pt-20 -61.51 -34.23 75.15 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.314 -175.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HD2' ' HD2' ' A' ' 31' ' ' LYS . 26.3 mmmt -63.08 -37.87 88.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.155 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.6 -37.64 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.381 0.61 . . . . 0.0 109.94 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' HB3' HD11 ' A' ' 5' ' ' LEU . 22.3 m-30 -67.42 -30.7 70.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.045 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.34 -32.91 73.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.62 -30.08 70.28 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.646 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.417 ' HD2' HD23 ' A' ' 7' ' ' LEU . 30.1 t80 -80.88 -43.13 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 109.956 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . -64.45 -49.6 70.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.14 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.06 -27.47 68.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.75 -39.94 80.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.563 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -90.25 -14.96 32.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.485 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.23 29.11 11.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.162 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 3.1 p -117.28 122.89 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.192 0.52 . . . . 0.0 111.609 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.96 102.34 6.47 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.59 -170.17 13.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.203 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -68.93 105.8 2.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -68.3 107.26 2.76 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.623 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 110.57 16.04 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.322 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 52.9 t80 -101.88 128.11 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 111.45 -176.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.67 116.04 30.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.288 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.92 -39.82 95.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.925 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.17 -47.8 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.173 -174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 p -93.19 -6.09 48.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 62.92 37.46 12.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.076 0.465 . . . . 0.0 110.356 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 4' ' ' LYS . 36.0 p -110.01 130.53 55.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.894 -175.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' HD13 ' A' ' 5' ' ' LEU . 70.4 m-85 -102.11 112.3 24.91 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 172.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.7 m -103.94 127.7 51.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.456 0.17 . . . . 0.0 110.557 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -98.08 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.414 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 m -87.69 105.15 17.17 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.871 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.574 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -94.29 168.99 10.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.163 -178.656 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.23 -44.48 64.5 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.379 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.8 m 63.83 -157.83 0.31 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 122.475 0.31 . . . . 0.0 110.652 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -112.72 111.48 22.31 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -61.88 146.17 50.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.258 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -87.79 172.57 9.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -99.19 142.28 30.88 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -55.94 115.03 2.16 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.319 0.58 . . . . 0.0 110.936 -176.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -80.93 127.86 33.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.304 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.2 tpt 74.02 117.8 0.05 Allowed 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.907 0.755 . . . . 0.0 112.489 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -98.76 147.59 24.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.195 173.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.6 m -99.43 147.78 6.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.086 0.47 . . . . 0.0 111.806 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -98.33 93.74 6.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.408 0.623 . . . . 0.0 110.53 177.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -115.86 68.08 0.28 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.477 ' SD ' ' HD3' ' A' ' 118' ' ' ARG . 51.2 mtm -61.37 112.04 2.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.361 0.601 . . . . 0.0 111.583 -173.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 m -92.71 130.42 38.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.487 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.546 ' H ' ' HB3' ' A' ' 149' ' ' TYR . 17.7 m -107.92 133.67 51.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.014 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.995 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -100.92 155.78 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.776 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 23.0 tptp -121.36 105.46 10.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.524 HG11 HG12 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -102.56 127.53 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -124.26 178.89 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.682 0.277 . . . . 0.0 111.177 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 61.68 30.04 18.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.908 -173.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 82' ' ' THR . 27.3 tp -73.1 143.92 47.2 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.207 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.0 p -83.79 152.46 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.725 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.603 ' HH ' HH22 ' A' ' 112' ' ' ARG . 71.3 m-85 -82.34 51.36 1.8 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.258 0.552 . . . . 0.0 110.983 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.82 11.77 0.2 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.938 175.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.544 ' HG1' HD23 ' A' ' 137' ' ' LEU . 20.4 m -91.16 108.18 19.7 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.726 ' O ' ' HB ' ' A' ' 86' ' ' THR . 56.9 m -90.78 157.57 43.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.557 ' HA ' HD12 ' A' ' 102' ' ' ILE . 4.3 Cg_endo -49.76 -44.28 36.89 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.606 2.204 . . . . 0.0 112.76 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.81 -33.23 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.824 0.345 . . . . 0.0 110.308 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.726 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.7 m -54.04 -58.23 8.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.62 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.539 HD21 ' HE2' ' A' ' 91' ' ' PHE . 14.8 mt -70.39 -37.67 74.55 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.758 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -54.86 -44.45 74.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm-85 -69.52 -39.59 77.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.659 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.693 HG21 ' O ' ' A' ' 86' ' ' THR . 3.8 t -74.57 -43.07 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.125 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 117' ' ' VAL . 30.8 m-85 -69.55 -36.9 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -61.42 -19.06 61.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.595 -179.517 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.14 -39.14 89.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 109.894 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.64 -49.02 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.003 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.658 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -141.68 167.61 25.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.401 ' O ' ' HD2' ' A' ' 120' ' ' HIS . 13.2 ttp180 -82.2 101.15 10.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.531 0.681 . . . . 0.0 110.265 -178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 p -87.58 136.8 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.783 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.09 -51.77 1.86 Allowed Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.217 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.5 161.21 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.42 160.04 37.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.147 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.425 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 54.5 t80 -139.45 94.88 2.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.347 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.638 HG12 ' HB2' ' A' ' 115' ' ' ALA . 48.1 mt -112.55 95.82 33.79 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.4 140.38 19.26 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.662 2.241 . . . . 0.0 112.913 -175.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -101.18 73.13 1.49 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.35 0.595 . . . . 0.0 109.449 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -107.46 115.16 29.67 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.512 ' O ' ' HD2' ' A' ' 106' ' ' ARG . 6.9 tmm_? -129.81 83.33 2.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.247 0.546 . . . . 0.0 110.692 -175.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -158.64 130.15 6.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.353 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.1 p 61.7 149.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.474 1.11 . . . . 0.0 112.685 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.449 ' HA ' ' HD2' ' A' ' 109' ' ' LYS . 3.3 mmmp? -97.69 76.07 2.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.579 0.704 . . . . 0.0 110.474 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.756 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 8.7 pt-20 -107.34 -170.84 1.77 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.518 174.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.1 m -70.28 93.08 0.82 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.244 0.545 . . . . 0.0 110.958 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.756 ' HG3' ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -166.4 -176.27 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.064 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.76 54.45 2.49 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 -170.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 112' ' ' ARG . 29.5 p90 -140.47 173.01 11.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.893 -0.654 . . . . 0.0 110.256 -173.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.638 ' HB2' HG12 ' A' ' 102' ' ' ILE . . . -146.5 153.71 40.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 89.8 m-85 -113.66 147.0 38.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.895 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.995 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.8 m -132.02 136.1 57.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.477 ' HD3' ' SD ' ' A' ' 70' ' ' MET . 41.7 ttm180 -111.88 111.48 22.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.74 0.305 . . . . 0.0 111.47 -171.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 66.3 m-85 -98.33 169.73 9.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.498 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 96' ' ' ARG . 90.4 m-70 -73.65 -51.3 17.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.801 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 8.7 m-20 -127.63 176.05 7.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.035 0.445 . . . . 0.0 110.554 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.428 ' HG3' ' HE2' ' A' ' 146' ' ' MET . 45.1 tttm -70.43 -20.51 62.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.705 177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.801 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 31.0 ptt180 -55.66 -44.61 77.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.761 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.586 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 9.6 m-20 -77.24 -32.16 55.54 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.436 0.636 . . . . 0.0 109.531 -176.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -69.51 -42.98 74.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.043 -176.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.459 ' O ' ' HE2' ' A' ' 129' ' ' MET . 35.2 mt-10 -63.67 -48.7 76.14 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.934 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.89 -30.57 70.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.499 ' HB2' ' HD1' ' A' ' 91' ' ' PHE . . . -80.62 -54.44 5.65 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.597 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.46 -39.87 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.793 -175.148 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.04 -40.31 94.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.67 -50.36 17.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.035 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.83 ' HG3' ' HB2' ' A' ' 135' ' ' ALA . 35.5 ttm -80.25 -11.52 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -172.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.57 84.05 0.28 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.487 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 121.04 11.44 6.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.653 -171.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.83 ' HB2' ' HG3' ' A' ' 132' ' ' MET . . . -101.44 131.62 47.46 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 122.478 0.311 . . . . 0.0 110.772 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.677 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 23.1 t -93.66 113.72 28.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.873 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.63 ' HB3' HD23 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.36 -17.46 34.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.239 178.423 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.562 ' N ' HD12 ' A' ' 137' ' ' LEU . 19.3 t70 -159.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.937 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.87 22.07 2.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -145.73 129.91 17.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.27 . . . . 0.0 111.129 -177.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.631 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -73.7 107.58 6.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.63 HD23 ' HB3' ' A' ' 137' ' ' LEU . 2.8 mm? -56.77 146.52 25.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.322 0.582 . . . . 0.0 111.617 -176.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -102.01 85.78 2.75 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.53 HG23 ' HB3' ' A' ' 132' ' ' MET . 19.2 t -95.04 109.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.853 ' HA ' HE21 ' A' ' 145' ' ' GLN . 0.0 OUTLIER -114.09 164.94 13.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.08 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.428 ' HE2' ' HG3' ' A' ' 122' ' ' LYS . 26.8 mtt -82.55 117.32 22.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 174.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.776 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -92.02 -177.34 4.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.69 106.98 18.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.291 0.567 . . . . 0.0 109.679 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . 0.546 ' HB3' ' H ' ' A' ' 72' ' ' SER . 6.8 p90 -86.65 15.75 5.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.292 -176.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -78.42 67.75 3.05 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.82 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -136.61 122.68 13.55 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.726 0.298 . . . . 0.0 110.357 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.56 174.29 11.21 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.713 2.275 . . . . 0.0 110.539 171.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -44.12 119.49 2.07 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.396 2.064 . . . . 0.0 111.701 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -68.03 144.68 55.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 -170.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 37.4 t -164.26 28.95 0.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.411 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -130.61 16.26 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.641 -175.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -105.1 122.12 45.22 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.735 -176.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.247 0.95 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.93 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.036 0.445 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -88.19 113.97 24.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.238 0.542 . . . . 0.0 111.414 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 17' ' ' THR . 24.0 m-85 -101.21 143.67 31.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.036 176.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.542 ' HB2' HG21 ' A' ' 17' ' ' THR . 4.5 ttmt -119.52 141.63 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.408 . . . . 0.0 111.57 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -105.05 128.92 53.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.283 174.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' A' ' 15' ' ' GLU . 48.9 mm -109.47 109.73 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.667 HD21 HD21 ' A' ' 12' ' ' LEU . 5.5 mp -87.86 100.47 12.9 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.743 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -86.35 34.88 0.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.529 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -69.02 -29.9 72.27 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.072 -171.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm 69.52 -40.34 0.45 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.309 0.643 . . . . 0.0 111.37 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -61.07 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -147.89 161.5 41.17 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.145 -1.389 . . . . 0.0 108.767 172.356 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -152.87 127.18 9.21 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.99 161.05 28.62 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.791 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.532 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 51.2 mt-10 -120.85 125.77 48.36 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -142.66 157.57 44.55 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.542 HG21 ' HB2' ' A' ' 4' ' ' LYS . 50.8 p -133.24 153.21 51.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.338 0.589 . . . . 0.0 111.765 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -140.79 140.83 34.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.827 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.36 85.72 7.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.708 0.766 . . . . 0.0 109.402 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.57 148.59 23.63 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.134 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.99 -22.5 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.171 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -148.07 155.7 41.77 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.427 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.26 85.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.297 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.15 -26.52 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.621 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 m -72.61 -45.72 57.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.489 0.661 . . . . 0.0 109.885 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.88 86.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.581 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 pt-20 -60.76 -35.27 75.97 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.096 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.27 -36.44 77.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.169 0.509 . . . . 0.0 110.936 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.76 -40.99 40.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.199 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB3' HD23 ' A' ' 5' ' ' LEU . 20.4 m-30 -67.41 -32.65 73.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.6 mttt -68.23 -28.15 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.222 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.88 -46.54 74.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.74 -43.17 99.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.27 96.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.212 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -71.78 -33.18 68.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.795 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.7 -34.88 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.674 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 27.6 m-80 -90.23 -23.8 21.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.267 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.78 25.8 19.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.492 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.587 HG12 HD22 ' A' ' 7' ' ' LEU . 3.1 p -97.82 115.83 38.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.363 0.602 . . . . 0.0 110.93 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.33 79.33 1.24 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.82 -176.54 23.01 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.69 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -86.26 130.31 34.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 62.3 m95 -81.95 119.24 23.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.422 0.63 . . . . 0.0 111.694 -175.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 p -122.6 149.61 43.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.976 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -134.97 135.22 41.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.48 133.57 48.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.96 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.98 -8.36 57.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.65 -59.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.232 -0.293 . . . . 0.0 110.999 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.457 HG21 ' OG1' ' A' ' 51' ' ' THR . 3.8 t -85.1 -5.59 59.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.15 46.47 8.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.41 0.624 . . . . 0.0 109.95 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 4' ' ' LYS . 38.3 p -113.25 144.79 42.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.633 -175.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.12 145.11 31.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.11 172.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 m -137.77 130.85 30.38 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.939 0.399 . . . . 0.0 110.58 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.1 105.55 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.348 0.594 . . . . 0.0 109.494 174.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 m -84.06 104.89 14.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.598 -175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER -94.51 145.67 24.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 176.576 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.13 14.17 3.29 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.322 -174.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.6 m -83.11 -149.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.774 0.287 . . . . 0.0 110.479 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 77.78 138.0 0.07 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.639 0.775 . . . . 0.0 110.239 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -103.02 39.24 1.59 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.218 0.533 . . . . 0.0 110.93 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -119.55 144.24 47.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.45 173.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -83.29 95.84 8.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.4 0.619 . . . . 0.0 109.392 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 65' ' ' MET . 10.4 t-80 -97.32 115.43 27.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.291 -171.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -83.17 75.53 9.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.402 0.62 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.833 ' HG2' ' H ' ' A' ' 66' ' ' ASP . 43.7 ttm -174.57 -164.43 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.833 ' H ' ' HG2' ' A' ' 65' ' ' MET . 14.2 m-20 66.42 79.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.559 0.695 . . . . 0.0 110.792 177.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.482 HG13 ' CZ ' ' A' ' 148' ' ' ARG . 16.8 m -91.34 82.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.855 177.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -120.47 110.54 16.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.06 -171.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.28 6.56 3.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 113.047 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 43.7 tpp 63.22 -80.54 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.029 0.532 . . . . 0.0 110.169 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.617 HG22 ' HA ' ' A' ' 122' ' ' LYS . 2.3 m -120.0 88.87 3.02 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 167.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -80.89 136.93 36.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.109 -173.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.919 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.4 mm? -104.57 145.2 30.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.999 174.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 2.9 tppp? -106.3 109.45 21.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.666 175.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.432 HG23 HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -101.65 133.7 44.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -137.42 171.63 14.18 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.313 -0.242 . . . . 0.0 110.505 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER 64.12 29.28 14.12 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.928 0.767 . . . . 0.0 109.142 -172.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 HD13 HG22 ' A' ' 75' ' ' VAL . 9.6 tp -64.26 145.42 56.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.311 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.9 p -90.37 166.2 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' HA ' ' HD3' ' A' ' 109' ' ' LYS . 59.3 m-85 -56.83 -44.92 82.54 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.302 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' HD3' ' CG ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -88.88 15.1 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.284 -172.58 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.403 HG23 HG21 ' A' ' 86' ' ' THR . 96.5 m -73.68 122.72 22.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.719 0.295 . . . . 0.0 110.531 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.763 ' O ' ' HB ' ' A' ' 86' ' ' THR . 59.3 p -111.86 165.02 13.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 83' ' ' SER . 11.1 Cg_endo -55.86 -36.35 95.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.143 1.895 . . . . 0.0 111.27 174.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.97 -37.16 83.74 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.249 175.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.763 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -51.0 -57.39 8.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.646 178.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.57 HD23 ' HE1' ' A' ' 91' ' ' PHE . 36.0 mt -76.95 -38.54 53.13 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.027 -175.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -55.65 -50.81 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.084 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 86' ' ' THR . 1.8 t -75.22 -53.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.839 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' HE1' HD23 ' A' ' 87' ' ' LEU . 54.3 m-85 -63.55 -39.47 94.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -62.18 -14.67 39.94 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.409 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.792 ' HB2' ' HZ2' ' A' ' 93' ' ' LYS . 4.7 ttmp? -79.58 -28.27 41.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.146 0.498 . . . . 0.0 110.711 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -84.62 -32.65 23.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.46 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -166.28 179.91 40.05 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.499 ' C ' ' HD3' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -80.32 98.33 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.153 0.477 . . . . 0.0 110.264 -178.436 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.428 HG13 ' HA ' ' A' ' 92' ' ' GLU . 7.7 p -91.69 130.39 40.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.535 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.52 -45.9 12.94 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -164.58 158.6 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.4 m -117.88 133.92 63.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.88 0.371 . . . . 0.0 110.086 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -113.75 99.14 7.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.16 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.467 HG12 ' HB2' ' A' ' 115' ' ' ALA . 24.7 mt -104.23 100.11 20.13 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.43 86.11 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.919 2.412 . . . . 0.0 112.86 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 107' ' ' TYR . 8.7 ttp180 -98.4 -63.69 1.1 Allowed 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 174.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t70 52.52 -89.21 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.901 175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -74.33 -74.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.959 -172.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.571 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 91.4 m-85 -87.68 -179.17 6.25 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.886 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -76.19 -15.47 60.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.058 0.456 . . . . 0.0 110.385 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' A' ' 80' ' ' TYR . 9.3 mmmm -145.31 -164.39 1.93 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.477 0.656 . . . . 0.0 112.003 -176.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.467 ' H ' ' HB3' ' A' ' 109' ' ' LYS . 7.8 tm-20 -146.83 157.86 43.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.9 m -51.44 -38.07 51.84 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -106.62 -33.36 7.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.727 0.299 . . . . 0.0 110.726 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.64 79.15 0.43 Allowed Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.007 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -128.06 155.04 44.99 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.467 ' HB2' HG12 ' A' ' 102' ' ' ILE . . . -141.36 159.51 42.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.88 175.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -118.82 148.58 42.71 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.162 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.919 HG23 ' HB2' ' A' ' 73' ' ' LEU . 4.0 m -130.25 132.05 65.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.873 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -97.5 110.83 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.227 -174.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 25.4 m-85 -103.09 158.14 16.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.738 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -58.01 -54.25 49.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.285 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.881 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 16.4 t70 -140.61 173.25 11.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.617 ' HA ' HG22 ' A' ' 71' ' ' THR . 76.0 tttt -63.5 -27.9 69.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.881 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.1 ptt180 -51.14 -43.62 61.24 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.553 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.546 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 9.9 m-20 -79.38 -32.98 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.022 -176.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.468 ' HB3' HD22 ' A' ' 73' ' ' LEU . . . -75.74 -33.6 60.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.723 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 129' ' ' MET . 50.7 mt-10 -63.77 -52.27 61.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.829 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.25 -25.75 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.895 0.378 . . . . 0.0 110.668 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.434 ' HB2' ' HD2' ' A' ' 91' ' ' PHE . . . -79.0 -53.05 7.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.62 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.667 ' HG2' ' HE3' ' A' ' 146' ' ' MET . 0.0 OUTLIER -65.25 -39.4 92.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.398 -175.41 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.45 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 23.0 t70 -65.59 -36.53 84.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.33 0.586 . . . . 0.0 110.055 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.72 -49.35 26.05 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.766 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.638 ' HA ' ' HB1' ' A' ' 135' ' ' ALA . 93.4 mmm -84.04 -17.16 41.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.757 -168.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.58 89.82 0.73 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.777 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 110.62 22.29 6.44 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.652 -171.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.653 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.57 135.22 46.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 122.122 0.169 . . . . 0.0 110.884 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 5.5 t -96.01 109.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.013 -176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.17 -13.53 46.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 110.124 177.442 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.487 ' N ' HD11 ' A' ' 137' ' ' LEU . 16.1 t70 -160.49 -76.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.053 -176.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.88 15.26 2.85 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -133.77 129.7 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.783 -0.708 . . . . 0.0 110.101 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.777 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 23.4 mp0 -79.93 105.5 11.26 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 137' ' ' LEU . 2.1 mm? -54.25 142.99 24.32 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.574 0.546 . . . . 0.0 111.398 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -93.78 80.79 4.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.343 174.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 132' ' ' MET . 41.9 t -91.6 109.51 21.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.111 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -118.83 166.06 13.27 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.73 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.667 ' HE3' ' HG2' ' A' ' 129' ' ' MET . 17.0 mmt -69.5 116.95 10.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.048 0.451 . . . . 0.0 109.969 173.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.74 -32.8 23.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.533 0.682 . . . . 0.0 109.186 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . 0.482 ' CZ ' HG13 ' A' ' 67' ' ' VAL . 21.8 mmm180 -98.84 96.38 7.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.851 171.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -66.64 161.43 23.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.68 -175.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.65 140.06 3.54 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.69 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -133.68 155.76 80.15 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 31.6 Cg_exo -59.45 137.31 77.24 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.775 2.316 . . . . 0.0 112.297 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 20.4 Cg_exo -66.84 -23.77 47.39 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.812 2.341 . . . . 0.0 112.011 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -65.59 -55.9 15.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.78 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.1 p -80.93 96.45 7.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.846 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -149.91 8.33 0.65 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.049 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -87.22 -53.18 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.468 0.652 . . . . 0.0 109.572 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.25 1.12 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.515 177.886 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.084 0.469 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -96.08 105.18 17.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.384 -176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 17' ' ' THR . 25.5 m-85 -94.58 139.56 31.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.321 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.653 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 13.9 tppt? -110.25 129.67 55.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -176.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' A' ' 30' ' ' PHE . 39.1 tp -100.53 124.48 46.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 176.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.483 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.6 mm -104.01 104.0 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.609 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.721 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 3.8 mt -87.5 118.69 27.14 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.502 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.59 36.18 4.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.734 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -75.46 -177.59 41.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.099 -170.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -59.67 -48.65 80.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.013 0.435 . . . . 0.0 110.124 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -107.02 -65.04 1.13 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.097 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 tp -69.36 116.28 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.145 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 32.9 mtmm -128.76 97.06 4.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.153 174.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.721 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.86 169.26 29.34 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.239 -173.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.653 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 2.2 mp0 -129.47 106.33 8.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.434 ' O ' ' HD3' ' A' ' 4' ' ' LYS . 14.5 t -125.79 173.23 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.873 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 21.2 p -131.45 172.17 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.458 . . . . 0.0 111.646 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -159.24 145.4 16.48 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.872 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -79.29 102.89 8.86 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.7 37.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 -175.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -69.08 -26.44 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.449 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -138.36 153.55 48.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.359 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -36.46 73.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.352 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.25 -36.11 78.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 110.144 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.8 m -64.73 -40.33 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.068 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.63 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.2 pt-20 -64.16 -31.38 72.56 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.939 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -60.98 -44.93 96.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.843 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.22 -44.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.38 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HB3' HD12 ' A' ' 5' ' ' LEU . 21.9 m-30 -63.25 -36.35 83.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.033 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -65.01 -44.32 89.59 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.569 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -68.47 -44.94 73.74 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.22 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HE2' HD11 ' A' ' 7' ' ' LEU . 58.5 t80 -60.5 -44.21 96.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -65.46 -53.5 41.88 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.558 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -66.62 -30.21 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.712 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.65 -36.05 78.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.985 0.422 . . . . 0.0 110.67 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -84.71 -44.73 13.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.79 38.87 0.17 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 119.901 -1.143 . . . . 0.0 113.635 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 34' ' ' ALA . 2.8 p -129.76 110.28 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.471 0.653 . . . . 0.0 111.67 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.97 79.26 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.81 -171.62 17.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.108 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 9.8 tp10 -72.94 116.25 13.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.865 0.466 . . . . 0.0 110.155 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -84.95 108.33 17.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -112.93 115.5 28.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.887 0.375 . . . . 0.0 110.135 173.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 50.7 t80 -107.08 134.85 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.055 0.455 . . . . 0.0 111.585 -176.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -107.29 120.63 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.063 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 4.7 p-10 -79.59 -17.39 53.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.79 -42.68 33.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.638 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -96.21 -9.18 31.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.394 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 60.1 42.91 14.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.672 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 4' ' ' LYS . 35.4 p -109.95 123.45 49.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.589 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -97.94 111.96 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.483 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 47.8 m -100.29 114.49 28.01 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.9 104.78 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.932 0.872 . . . . 0.0 109.295 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.408 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 7.2 m -89.64 117.53 28.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.719 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.734 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 6.4 tp10 -128.08 154.49 45.63 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.41 -96.64 0.11 Allowed Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.526 ' O ' ' HD2' ' A' ' 60' ' ' HIS . 19.4 m -134.31 99.06 4.27 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -77.98 87.55 4.15 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.526 ' HD2' ' O ' ' A' ' 58' ' ' SER . 7.7 p80 -131.79 166.89 20.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.825 -167.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -126.2 138.51 53.65 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 171.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.1 m80 71.4 141.16 0.05 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.844 0.715 . . . . 0.0 110.302 -174.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -117.93 90.04 3.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.525 0.679 . . . . 0.0 109.563 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -81.82 84.17 6.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.999 -176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.7 mmt -123.97 172.3 9.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.595 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -145.06 -47.72 0.23 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.324 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 67' ' ' VAL . 13.8 p -146.9 20.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.045 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 58.42 -97.96 0.08 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.481 -172.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.68 171.69 23.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.356 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.413 ' HE2' ' HB2' ' A' ' 70' ' ' MET . 47.4 mtm -99.53 94.82 6.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.08 0.467 . . . . 0.0 110.58 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p -74.48 123.0 23.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.766 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 m -99.51 161.71 13.46 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.892 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 1.059 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -112.74 142.47 45.33 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 2.3 tmtp? -118.2 104.33 10.69 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -97.9 126.49 50.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -124.47 175.69 6.97 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.676 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 62.93 19.11 11.37 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -172.481 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.537 HD13 HG22 ' A' ' 82' ' ' THR . 32.4 tp -71.76 145.27 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.489 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.5 p -86.29 155.36 20.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.139 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -83.14 -7.91 59.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.246 0.546 . . . . 0.0 110.18 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -87.15 11.84 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.42 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.537 HG22 HD13 ' A' ' 78' ' ' LEU . 36.4 m -96.09 121.25 37.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.547 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.681 ' O ' ' HB ' ' A' ' 86' ' ' THR . 4.2 m -100.56 154.35 37.23 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.724 ' HA ' HD11 ' A' ' 102' ' ' ILE . 88.8 Cg_exo -44.35 -52.23 6.05 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.508 2.805 . . . . 0.0 114.587 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 41.1 m-20 -60.41 -24.74 65.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.814 0.34 . . . . 0.0 111.384 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.681 ' HB ' ' O ' ' A' ' 83' ' ' SER . 7.9 m -58.48 -57.08 14.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.234 176.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.541 ' HB2' HD13 ' A' ' 102' ' ' ILE . 21.0 mt -70.86 -31.47 68.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.508 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' A' ' 85' ' ' ASP . 77.2 mtt180 -52.95 -55.07 26.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.75 -40.98 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.813 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 86' ' ' THR . 2.7 t -75.14 -47.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.841 0.353 . . . . 0.0 111.381 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 31.8 m-85 -70.86 -36.16 72.7 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -16.45 50.66 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.09 -35.48 64.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -84.93 -26.87 26.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.471 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.717 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -170.57 170.51 43.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.406 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -74.75 98.51 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.15 0.5 . . . . 0.0 110.63 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.538 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.1 p -88.78 134.23 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.871 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 -50.91 4.51 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -158.91 160.9 36.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 84' ' ' PRO . 30.6 m -117.86 -6.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 123.033 0.208 . . . . 0.0 111.509 -176.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 21.6 t80 61.31 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 112.521 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.724 HD11 ' HA ' ' A' ' 84' ' ' PRO . 21.9 mt 54.38 90.01 0.09 OUTLIER Pre-proline 0 C--N 1.322 -0.604 0 C-N-CA 124.127 0.971 . . . . 0.0 112.294 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.539 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 89.9 Cg_endo -95.22 171.53 1.35 Allowed 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.242 2.628 . . . . 0.0 111.621 171.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -106.63 -26.16 11.47 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.085 0.469 . . . . 0.0 109.824 172.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.1 137.88 18.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.097 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.691 ' HB3' ' HZ ' ' A' ' 114' ' ' PHE . 15.0 tpp180 -161.53 -86.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.861 174.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -74.65 -60.1 2.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.259 0.552 . . . . 0.0 110.656 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.6 t -97.19 31.19 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.545 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.5 pttp 40.83 -143.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.012 -173.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 57.3 tt0 -92.17 27.17 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.428 0.632 . . . . 0.0 110.591 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.7 m -73.48 -37.21 65.82 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.228 0.537 . . . . 0.0 109.825 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -135.25 131.2 36.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.919 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.45 125.85 7.86 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.55 175.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.691 ' HZ ' ' HB3' ' A' ' 106' ' ' ARG . 41.0 p90 -146.56 151.4 37.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 75' ' ' VAL . . . -136.87 144.62 43.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 127.6 47.91 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 1.059 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -122.84 147.37 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -169.099 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -108.02 116.57 32.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.595 -175.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 5.8 m-30 -102.97 169.43 8.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.147 174.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -76.82 -66.03 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.615 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.847 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.4 m-20 -124.02 172.63 8.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.674 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 57.7 tttp -61.2 -25.8 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.205 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.847 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 19.4 ptt180 -53.66 -40.61 66.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.378 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.717 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 14.9 m-20 -76.19 -42.75 45.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 -175.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -78.82 -31.31 45.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.132 -170.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.674 ' HG2' ' HG2' ' A' ' 122' ' ' LYS . 50.7 mm-40 -59.34 -44.07 92.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.447 0.641 . . . . 0.0 110.734 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -31.51 67.38 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.996 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.8 -53.37 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.623 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -60.89 -31.19 70.69 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.674 0.274 . . . . 0.0 111.361 -174.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.13 -50.29 13.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.478 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.56 -39.26 64.82 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.501 ' HG2' HG22 ' A' ' 144' ' ' VAL . 24.1 ttm -86.25 -7.9 58.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.868 0.366 . . . . 0.0 111.497 -174.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.428 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 15.3 t70 -68.19 92.44 0.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.497 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 114.65 22.34 5.11 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.212 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.605 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -96.12 110.64 22.87 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 122.31 0.244 . . . . 0.0 111.14 177.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 141' ' ' GLU . 21.8 t -78.85 111.83 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.846 0 CA-C-O 122.75 1.262 . . . . 0.0 110.8 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.727 ' HB2' HD21 ' A' ' 142' ' ' LEU . 1.6 tm? -76.15 -35.73 59.08 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 112.514 -2.13 . . . . 0.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -158.2 -62.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.817 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.38 8.28 3.45 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 11.4 tpp180 -140.0 135.36 32.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.475 -0.862 . . . . 0.0 109.891 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.605 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.3 pm0 -85.14 122.18 28.97 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 137' ' ' LEU . 1.2 mm? -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.5 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.428 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 16.0 tpp180 -89.84 79.46 6.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 172.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 132' ' ' MET . 40.3 t -85.92 119.74 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.369 0.604 . . . . 0.0 110.774 -175.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -118.22 169.26 9.85 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.713 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.451 ' HE3' ' HG2' ' A' ' 129' ' ' MET . 42.0 ttm -89.08 116.9 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.048 172.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 74' ' ' LYS . . . -86.09 132.31 34.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.275 -177.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . 0.566 ' HE ' ' HA ' ' A' ' 148' ' ' ARG . 0.3 OUTLIER -79.19 105.63 10.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.96 -178.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -96.43 -24.86 15.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.379 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -83.82 55.34 5.01 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.062 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.482 ' O ' ' HD3' ' A' ' 153' ' ' PRO . 52.3 mtm180 -114.6 138.66 23.3 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -89.07 107.3 0.44 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.765 2.31 . . . . 0.0 112.38 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 151' ' ' ARG . 4.2 Cg_exo -81.24 -52.83 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.873 2.382 . . . . 0.0 111.497 177.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.645 ' HB3' ' O ' ' A' ' 157' ' ' HIS . 14.4 t70 -162.43 160.94 26.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.132 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 23.8 p -63.2 -38.25 90.44 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -129.4 -15.54 4.06 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -171.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.645 ' O ' ' HB3' ' A' ' 154' ' ' ASP . 32.2 p80 -134.18 -167.25 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.645 174.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.48 ' HA ' ' HB2' ' A' ' 153' ' ' PRO . 8.2 t . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mtp . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 18' ' ' THR . 8.4 tt0 -80.84 121.56 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -175.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -112.09 134.69 53.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.092 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.717 ' HE3' HG23 ' A' ' 17' ' ' THR . 1.5 tpmt? -102.53 126.28 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.606 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 52' ' ' PHE . 61.6 tp -103.05 122.96 45.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.081 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.8 mm -111.77 107.74 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.822 HD22 HD23 ' A' ' 12' ' ' LEU . 5.2 mp -87.45 99.25 11.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.161 0.505 . . . . 0.0 110.095 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.622 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 12.4 t-20 -88.46 41.06 0.99 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.688 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -73.44 157.79 52.17 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.294 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -89.82 -23.08 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 171.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -77.53 -51.09 11.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.88 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.822 HD23 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.18 161.83 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.655 177.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.661 ' HZ3' ' HB2' ' A' ' 13' ' ' LYS . 4.7 ttmp? -150.09 101.91 3.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 110.459 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 -176.26 22.93 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.778 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' A' ' 103' ' ' PRO . 33.1 mt-10 -110.88 161.32 15.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.978 0.418 . . . . 0.0 110.734 176.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.428 HG21 ' HB3' ' A' ' 5' ' ' LEU . 9.2 t -167.11 143.13 4.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.249 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.717 HG23 ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -132.56 164.09 27.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -177.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 13.4 t -153.43 141.11 19.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.59 79.58 9.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . . . -89.68 144.03 26.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.698 -171.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.6 m -79.76 -31.22 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.073 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -137.47 149.3 46.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.112 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.87 87.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.57 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -73.02 -27.45 61.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.171 0.51 . . . . 0.0 109.944 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 29' ' ' VAL . 79.3 m -69.8 -45.17 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.787 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' ' CB ' ' A' ' 20' ' ' ALA . . . -61.65 -50.77 71.17 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.361 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.727 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 11.1 pt-20 -62.33 -30.66 71.32 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.188 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.1 -35.54 80.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.289 0.566 . . . . 0.0 110.667 -178.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 25' ' ' THR . 25.6 t -75.61 -33.47 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.583 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.52 -33.22 74.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.791 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.727 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptp? -58.05 -43.78 87.06 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.27 172.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.48 -45.57 92.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.514 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.405 ' HD2' HD21 ' A' ' 7' ' ' LEU . 15.5 t80 -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.88 -40.22 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -69.06 -36.9 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.203 0.525 . . . . 0.0 110.684 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.732 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 22.8 m-80 -82.99 -19.81 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.194 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.63 38.07 9.98 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.044 -0.598 . . . . 0.0 113.405 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG11 HD23 ' A' ' 7' ' ' LEU . 6.3 p -108.88 134.91 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.076 0.465 . . . . 0.0 110.643 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -132.65 107.45 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.44 -177.37 20.15 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.425 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.66 109.85 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ2' ' HD2' ' A' ' 31' ' ' LYS . 63.4 m95 -70.12 99.51 1.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.263 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.17 109.63 19.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.257 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 51' ' ' THR . 45.7 t80 -106.92 121.64 44.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.95 0.405 . . . . 0.0 110.704 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD2' HG21 ' A' ' 49' ' ' THR . 25.2 t70 -105.1 115.7 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.21 -32.12 73.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.27 -173.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.97 85.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.783 0.325 . . . . 0.0 111.642 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.463 HG21 ' OD2' ' A' ' 46' ' ' ASP . 4.0 t -106.25 -1.96 22.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.159 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm 60.36 37.17 20.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 40.5 p -103.38 123.69 47.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.062 0.458 . . . . 0.0 112.155 -175.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 5' ' ' LEU . 67.4 m-85 -94.38 111.97 23.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 166.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 m -113.87 122.61 47.56 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -97.53 103.54 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 174.267 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.622 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.2 m -87.07 96.52 10.32 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.676 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.688 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 41.9 tt0 -90.92 -30.91 16.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.081 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.41 -105.58 0.22 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.948 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.0 m 72.74 -54.94 0.69 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.467 0.707 . . . . 0.0 110.04 -174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -85.17 75.28 10.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 171.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -83.35 26.13 0.68 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -163.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 71.19 -67.73 0.24 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.165 0.586 . . . . 0.0 112.096 172.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -71.55 167.17 20.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.021 0.438 . . . . 0.0 110.926 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -126.52 149.13 49.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -91.7 -42.05 10.37 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 173.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.9 tpt -171.35 120.26 0.49 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.238 -1.347 . . . . 0.0 107.612 175.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.95 98.6 4.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.382 0.611 . . . . 0.0 111.351 -172.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -128.63 -48.32 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.408 175.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.77 18.37 8.54 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.183 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.4 33.17 6.21 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.465 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.17 100.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p -55.91 116.0 2.72 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.658 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -96.29 149.28 21.86 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.856 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.988 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.8 mm? -111.64 141.47 45.2 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.942 0.401 . . . . 0.0 110.943 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -104.97 104.78 14.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -93.88 126.13 46.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.275 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -112.91 158.35 20.32 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.513 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 61.96 75.88 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.748 0.655 . . . . 0.0 110.17 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 137' ' ' LEU . 1.3 mt -100.31 -172.73 2.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.997 0.903 . . . . 0.0 111.945 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.8 p -119.88 160.14 23.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.729 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.75 ' HH ' ' HZ1' ' A' ' 109' ' ' LYS . 18.7 t80 -72.63 -3.05 22.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 0.0 111.985 -171.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 34.34 5.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.142 0.496 . . . . 0.0 111.281 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.539 ' OG1' HD23 ' A' ' 78' ' ' LEU . 27.3 m -109.37 100.09 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.172 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.644 ' O ' ' HB ' ' A' ' 86' ' ' THR . 14.8 m -95.75 160.25 30.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.621 ' HA ' HD13 ' A' ' 102' ' ' ILE . 2.2 Cg_endo -43.65 -48.16 8.98 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.324 2.683 . . . . 0.0 114.034 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.39 -21.67 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.55 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.644 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.9 m -64.33 -58.07 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 177.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.701 ' HB2' HD12 ' A' ' 102' ' ' ILE . 16.2 mt -71.4 -28.25 63.88 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.588 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.562 ' HB2' HG21 ' A' ' 100' ' ' VAL . 18.3 ttt180 -56.95 -42.04 79.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.66 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 30.2 ttp180 -75.16 -39.23 60.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.348 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 86' ' ' THR . 20.4 t -73.72 -45.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.808 -175.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.604 ' HE1' HD22 ' A' ' 87' ' ' LEU . 33.6 m-85 -74.44 -27.34 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -174.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.0 pt-20 -65.01 -13.75 58.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 111.008 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -62.46 -48.49 79.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.832 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -83.78 -38.93 20.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.786 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -149.38 171.91 29.48 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.794 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -80.83 97.77 7.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.354 0.597 . . . . 0.0 111.134 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.615 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 2.5 p -85.37 120.31 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.797 174.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.05 -28.7 30.39 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -159.83 160.69 34.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 88' ' ' ARG . 7.7 m -137.75 154.62 29.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.955 0.407 . . . . 0.0 110.517 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.44 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 65.7 t80 -137.93 89.33 2.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.75 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.922 HG12 ' HB1' ' A' ' 115' ' ' ALA . 56.5 mt -108.65 94.51 14.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.578 ' HA ' ' OE2' ' A' ' 15' ' ' GLU . 96.1 Cg_endo -90.47 151.81 4.39 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.581 2.188 . . . . 0.0 112.537 -177.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -71.26 158.08 37.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.526 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.7 140.66 58.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.55 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 4.9 tmt_? -94.59 -20.24 19.78 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -173.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -105.14 -33.18 8.35 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -171.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -131.82 91.26 2.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -174.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.793 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 42.4 tttm 60.02 -166.0 0.2 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.758 176.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.793 ' H ' ' HG2' ' A' ' 109' ' ' LYS . 13.0 mp0 -95.01 37.84 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.7 p -70.6 161.46 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.742 HH21 HG22 ' A' ' 102' ' ' ILE . 13.9 mmm180 -117.47 98.88 6.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.92 -33.52 4.03 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.927 -174.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -147.13 161.38 41.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.616 0.246 . . . . 0.0 110.462 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.922 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.29 159.09 44.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.002 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 97.3 m-85 -123.99 141.67 51.84 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.949 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.988 HG23 ' HB2' ' A' ' 73' ' ' LEU . 1.4 m -130.18 139.39 51.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -122.64 109.94 14.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 111.587 -171.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.647 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 74.9 m-85 -93.01 169.78 10.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.265 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -65.68 -60.79 2.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.788 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.6 t70 -127.38 167.31 16.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.874 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.415 ' HZ1' ' CD ' ' A' ' 126' ' ' GLU . 44.3 tttm -60.44 -24.81 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.644 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.788 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.4 ptp180 -56.54 -37.96 71.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.207 176.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.647 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.0 m-20 -79.51 -32.32 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.243 0.544 . . . . 0.0 110.023 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -75.96 -38.09 57.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.531 -173.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.574 ' O ' ' HE3' ' A' ' 129' ' ' MET . 40.5 mt-10 -64.84 -43.23 93.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 0.0 111.044 -177.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.82 -28.6 69.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.963 0.411 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.59 6.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.238 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.574 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -61.9 -34.79 76.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.706 -172.765 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.31 -40.68 50.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.397 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.918 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.655 ' HB3' HG22 ' A' ' 144' ' ' VAL . 27.6 tpp -82.3 -16.85 47.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -174.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -72.2 96.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 170.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.612 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 103.15 21.36 10.11 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -170.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.68 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.28 135.52 51.7 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 122.493 0.317 . . . . 0.0 110.55 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.706 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 22.8 t -95.82 116.6 37.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.203 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.663 ' HG ' HD22 ' A' ' 142' ' ' LEU . 0.2 OUTLIER -93.07 -5.33 50.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.551 177.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.409 ' N ' HD12 ' A' ' 137' ' ' LEU . 24.9 t70 -169.5 -73.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.77 -174.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.06 38.19 0.85 Allowed Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.706 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 10.3 tpp180 -159.7 136.06 8.98 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.784 -0.708 . . . . 0.0 109.872 -176.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.68 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 2.0 mp0 -82.93 112.23 19.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.663 HD22 ' HG ' ' A' ' 137' ' ' LEU . 1.8 mm? -56.57 145.22 28.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.533 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -103.54 83.03 2.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 171.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 132' ' ' MET . 25.1 t -90.0 113.42 26.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.076 -173.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -108.66 158.27 17.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.071 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.3 tpp -77.94 121.39 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.22 109.03 20.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.509 . . . . 0.0 110.873 -177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -91.86 -178.4 5.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.359 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 75.1 t80 71.79 -81.24 0.04 OUTLIER 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.83 0.706 . . . . 0.0 110.527 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 73.68 159.68 5.99 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.642 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -129.15 106.19 17.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 O-C-N 122.69 -0.3 . . . . 0.0 110.417 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.411 ' C ' ' H ' ' A' ' 154' ' ' ASP . 43.7 Cg_endo -67.64 166.12 25.18 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.994 2.462 . . . . 0.0 111.795 176.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.71 31.95 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.216 2.611 . . . . 0.0 113.281 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 152' ' ' PRO . 10.1 t70 -60.1 -36.62 77.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.356 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 9.9 t -65.89 84.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.702 0.763 . . . . 0.0 111.235 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -154.46 13.04 0.42 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.573 173.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -149.28 160.02 43.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.69 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.245 0.833 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 173.377 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HE3' ' HE2' ' A' ' 50' ' ' LYS . 83.7 mtp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -91.86 102.07 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.343 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' ' HA ' ' A' ' 17' ' ' THR . 51.5 m-85 -96.81 134.1 40.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.338 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.833 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 2.9 tppp? -107.59 126.41 52.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 54.3 tp -98.82 122.94 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.162 174.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.579 HD12 ' HB3' ' A' ' 15' ' ' GLU . 49.9 mm -104.14 105.02 17.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.746 HD21 HD13 ' A' ' 12' ' ' LEU . 4.5 mp -89.78 111.16 22.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -96.91 41.19 1.12 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.827 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 151.07 31.59 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.251 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 9.3 mtmp? -72.71 -29.59 63.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.053 0.454 . . . . 0.0 110.087 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 m -97.0 -42.76 7.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.288 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.746 HD13 HD21 ' A' ' 7' ' ' LEU . 2.5 tm? -121.09 102.62 8.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.076 0.465 . . . . 0.0 110.104 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.5 ttmt -120.57 102.06 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.605 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.67 -174.07 21.36 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.587 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.833 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 1.1 pp20? -146.06 138.19 25.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.01 0.433 . . . . 0.0 110.902 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -150.48 173.2 14.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.183 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.536 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 24.2 p -125.73 167.42 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.529 . . . . 0.0 111.948 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.403 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 10.4 t -147.16 137.56 23.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.974 170.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -77.11 92.39 3.77 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.64 137.23 52.34 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.87 -19.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.546 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -146.4 158.92 43.95 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.697 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.013 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.2 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.0 m -60.1 -41.83 93.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.34 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.21 62.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.58 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.78 -29.76 70.95 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.588 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -60.3 -49.81 76.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 0.0 110.909 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.0 -39.18 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.462 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.6 m-30 -63.82 -35.53 80.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.083 176.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -68.98 -37.39 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.7 -46.49 85.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.979 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HD2' HD23 ' A' ' 7' ' ' LEU . 30.9 t80 -62.68 -51.8 65.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 -48.29 81.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.52 -40.83 98.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.249 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.87 -29.68 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.411 . . . . 0.0 110.809 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 23.0 m-80 -84.98 -18.27 35.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.588 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.42 5.49 51.98 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.52 -0.848 . . . . 0.0 113.497 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.98 120.41 50.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.312 0.577 . . . . 0.0 111.229 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -129.74 133.58 47.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.62 -162.02 13.81 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.095 -175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.8 110.52 8.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.208 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -75.57 99.36 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.212 0.53 . . . . 0.0 110.421 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.36 115.14 28.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.956 -176.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -108.39 121.85 45.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.84 115.68 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.92 -29.45 69.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -53.35 34.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.378 . . . . 0.0 111.688 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -91.75 -4.7 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.947 -175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HE2' ' HE3' ' A' ' 1' ' ' MET . 49.4 mmtm 61.29 39.08 15.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.368 0.604 . . . . 0.0 109.882 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.666 HG21 ' HB3' ' A' ' 4' ' ' LYS . 15.2 p -113.0 127.21 56.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.097 -173.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -93.32 112.07 23.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.6 m -105.77 115.09 29.65 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 54' ' ' VAL . 9.2 p -97.97 104.07 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 122.003 0.906 . . . . 0.0 109.356 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 m -86.03 103.43 14.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.932 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.4 126.7 26.21 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.359 0.6 . . . . 0.0 110.894 -176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.64 106.18 2.25 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -172.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.2 m -63.5 -28.56 70.04 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -116.87 77.15 1.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.729 0.775 . . . . 0.0 111.74 -177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -137.84 88.12 2.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.655 172.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -103.67 120.65 41.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.472 -171.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.8 m170 61.48 85.6 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.926 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -85.69 -28.74 24.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.605 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 m80 63.93 -169.73 0.19 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.499 -175.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.0 mtp -76.95 -44.52 31.05 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 169.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 t70 51.38 79.37 0.1 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 124.408 1.067 . . . . 0.0 111.562 173.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -82.55 103.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.532 0.682 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HG3' ' HE3' ' A' ' 70' ' ' MET . 28.0 tt0 -152.37 86.81 1.29 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.639 -177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.99 60.22 0.68 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.047 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.413 ' HE2' ' HB3' ' A' ' 70' ' ' MET . 1.1 pmm? -93.77 -166.17 1.46 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -49.11 105.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -174.833 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.619 ' H ' ' HB2' ' A' ' 148' ' ' ARG . 2.9 m -99.89 149.06 23.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.065 175.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.972 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -110.47 136.33 49.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.838 0.351 . . . . 0.0 111.212 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -99.85 115.77 30.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.859 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.16 127.95 57.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -133.77 166.66 22.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.316 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 51.3 m-80 65.69 25.51 11.5 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -168.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.416 HD12 HG22 ' A' ' 82' ' ' THR . 41.0 tp -73.46 148.95 42.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.037 -173.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 p -82.62 163.28 21.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 111.982 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -78.4 -7.99 57.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.645 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 18.92 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 111.441 -176.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.478 HG21 HD13 ' A' ' 102' ' ' ILE . 61.4 m -80.95 126.16 31.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.015 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.747 ' O ' ' HB ' ' A' ' 86' ' ' THR . 39.8 m -106.39 157.23 35.46 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 102' ' ' ILE . 53.5 Cg_exo -52.49 -39.63 73.92 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.455 2.103 . . . . 0.0 112.527 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 -38.07 77.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.349 0.595 . . . . 0.0 110.063 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.0 m -54.3 -57.34 11.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.249 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.581 HD21 ' HE2' ' A' ' 91' ' ' PHE . 23.6 mt -73.68 -41.23 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.542 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -54.43 -46.98 73.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -54.36 -46.44 73.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 86' ' ' THR . 3.1 t -74.49 -51.5 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.557 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.581 ' HE2' HD21 ' A' ' 87' ' ' LEU . 46.1 m-85 -65.08 -32.87 74.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.7 pt-20 -66.52 -9.95 39.91 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.662 0.267 . . . . 0.0 111.689 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -67.84 -46.86 70.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.461 ' HE2' ' SD ' ' A' ' 132' ' ' MET . 17.3 m-85 -84.23 -45.29 13.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.986 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -140.48 173.31 23.14 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.512 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -85.03 100.38 11.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.136 0.493 . . . . 0.0 110.416 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.73 126.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.341 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.6 -50.33 3.17 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.672 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -141.85 126.39 17.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.629 0.252 . . . . 0.0 110.845 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.03 143.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.58 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -127.01 104.25 7.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.851 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 84' ' ' PRO . 59.4 mt -114.46 100.66 53.39 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.905 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.46 109.08 1.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.475 2.117 . . . . 0.0 111.128 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.64 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 2.0 mmp_? -109.14 111.03 22.42 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.171 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.43 140.81 43.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.955 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.75 58.68 1.68 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 172.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -144.61 -41.59 0.25 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.113 172.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 t -108.77 -28.31 9.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.807 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -88.61 128.83 35.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -135.14 -37.11 0.8 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.073 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 m -98.55 105.74 17.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.601 0.239 . . . . 0.0 111.488 -175.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 61.41 -169.98 0.16 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.317 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -167.28 166.95 39.58 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.209 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -143.8 161.36 38.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 102' ' ' ILE . . . -147.11 165.35 30.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -124.97 142.15 51.67 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.445 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.578 ' CG2' ' HB2' ' A' ' 73' ' ' LEU . 8.8 m -132.03 131.22 61.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.997 176.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.75 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 29.6 m-85 -105.77 168.27 9.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.29 0.567 . . . . 0.0 112.058 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HB3' ' OD1' ' A' ' 124' ' ' ASP . 33.0 t-80 -61.23 -68.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.173 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.557 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 30.2 t70 -128.27 174.15 9.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.588 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HA ' HG22 ' A' ' 71' ' ' THR . 48.9 tttm -59.63 -31.3 69.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 16.5 ptt180 -59.41 -37.86 79.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.975 0.417 . . . . 0.0 110.506 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.7 m-20 -73.16 -36.38 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 109.743 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.486 ' HB3' ' HB ' ' A' ' 71' ' ' THR . . . -70.85 -38.66 73.19 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.844 -177.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 43.9 mt-10 -69.16 -43.75 73.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.443 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -39.13 67.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.701 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB3' ' HD1' ' A' ' 91' ' ' PHE . . . -80.9 -52.37 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.01 -178.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.972 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -63.94 -30.4 71.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.28 -173.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.536 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 22.7 t70 -76.16 -43.27 43.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.437 . . . . 0.0 110.147 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.59 -56.4 4.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.618 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.548 ' HA ' ' HB3' ' A' ' 135' ' ' ALA . 81.4 mmm -71.99 -12.22 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.044 -165.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.29 85.23 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.583 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 117.4 27.74 2.54 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.821 -170.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -110.08 125.67 53.21 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 122.15 0.18 . . . . 0.0 111.212 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.64 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.0 t -88.3 112.91 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.987 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.603 ' HB3' HD22 ' A' ' 142' ' ' LEU . 1.0 OUTLIER -93.99 -8.89 38.66 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.132 0.491 . . . . 0.0 110.787 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -160.81 -76.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.004 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.71 2.71 2.5 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.64 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 17.2 tpp180 -125.32 134.76 52.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.736 -0.732 . . . . 0.0 110.326 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.643 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -86.04 109.71 19.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -58.88 151.52 21.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.098 -171.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.77 93.44 5.81 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.761 HG12 HD12 ' A' ' 73' ' ' LEU . 48.5 t -103.43 127.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.009 -170.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.457 ' O ' HD13 ' A' ' 73' ' ' LEU . 20.0 mt-30 -130.11 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.694 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.463 ' HE3' ' HG2' ' A' ' 129' ' ' MET . 45.6 ttm -71.55 116.8 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -111.13 41.37 1.85 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.939 0.4 . . . . 0.0 111.342 -172.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . 0.619 ' HB2' ' H ' ' A' ' 72' ' ' SER . 1.4 tpt180 -157.83 168.24 27.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.667 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -61.48 129.35 40.75 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -86.77 31.88 4.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.037 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -173.61 127.76 0.48 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 122.616 0.367 . . . . 0.0 110.132 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.82 128.02 28.66 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.761 2.308 . . . . 0.0 111.543 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.96 -32.63 93.39 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.977 2.451 . . . . 0.0 113.233 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.541 ' HA ' ' NE2' ' A' ' 157' ' ' HIS . 33.8 m-20 -85.41 8.57 18.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -172.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 70.1 p -81.47 -37.86 27.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -91.42 14.12 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.541 ' NE2' ' HA ' ' A' ' 154' ' ' ASP . 23.8 p80 -146.32 132.82 19.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 171.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.699 -0.667 . . . . 0.0 109.658 -177.031 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.794 0.33 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -131.9 130.82 42.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.028 0.442 . . . . 0.0 110.213 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -112.45 150.41 31.23 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.796 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 1.011 ' HG2' HG23 ' A' ' 17' ' ' THR . 36.4 mtpt -115.05 161.04 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.046 0.45 . . . . 0.0 111.417 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -120.79 118.24 29.49 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.805 172.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.2 mm -98.42 107.18 19.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.928 HD22 HD11 ' A' ' 12' ' ' LEU . 4.4 mp -90.2 103.0 15.72 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 76.9 m-20 -97.6 39.54 1.2 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.527 175.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.558 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -91.62 160.0 26.29 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.412 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 19.6 pttm -73.83 -29.44 62.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.468 176.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.5 p -86.39 -35.55 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.247 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.928 HD11 HD22 ' A' ' 7' ' ' LEU . 2.6 tm? -142.88 123.99 14.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.269 -177.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.2 tmtm? -123.0 97.1 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.455 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.66 -174.53 21.79 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.904 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.15 157.45 43.11 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 9.0 t -167.35 164.44 15.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 175.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 1.011 HG23 ' HG2' ' A' ' 4' ' ' LYS . 70.8 p -134.47 161.86 33.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -154.49 141.37 19.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.294 170.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.45 84.88 7.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.466 0.651 . . . . 0.0 109.398 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.2 136.88 42.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.665 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.65 -14.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.0 t70 -143.74 150.61 38.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.566 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.85 91.46 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.357 0.41 . . . . 0.0 111.493 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.87 -31.5 71.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 24.9 m -66.52 -40.55 89.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.762 176.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.58 -49.62 57.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.479 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 12.9 pt-20 -59.09 -37.74 77.84 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.2 -39.12 91.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 111.271 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -71.51 -39.11 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.189 0.519 . . . . 0.0 110.392 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HB3' HD21 ' A' ' 5' ' ' LEU . 20.3 m-30 -67.73 -32.85 73.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.905 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.26 -31.17 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -66.69 -38.57 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.934 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -72.09 -47.02 54.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.253 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.442 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -71.78 -26.21 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.866 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -68.04 -41.23 82.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.46 0.647 . . . . 0.0 109.66 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 42.3 m-80 -88.48 -3.36 58.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.881 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 30.56 62.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.635 -0.711 . . . . 0.0 113.324 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG23 ' HA3' ' A' ' 9' ' ' GLY . 4.1 p -110.41 113.49 44.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.384 0.611 . . . . 0.0 111.111 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 2.9 m-20 -117.52 97.14 5.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.89 175.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.38 -165.37 14.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.56 105.99 14.06 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -66.37 98.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.734 ' HG1' ' HB ' ' A' ' 53' ' ' THR . 19.5 p -105.1 115.58 30.51 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.793 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -112.28 128.98 56.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.166 0.508 . . . . 0.0 111.052 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.31 116.81 29.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.74 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -75.05 -12.42 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.79 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.56 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -94.6 -2.1 52.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.046 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 58.19 48.37 12.91 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.347 0.594 . . . . 0.0 110.812 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.665 HG22 ' HB2' ' A' ' 4' ' ' LYS . 21.5 p -113.31 119.44 37.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.443 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.7 m-85 -90.24 127.08 36.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.734 ' HB ' ' HG1' ' A' ' 44' ' ' THR . 24.2 m -121.72 128.37 51.71 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 120.555 0.216 . . . . 0.0 110.683 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -97.26 102.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -86.69 102.34 14.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.298 -0.865 . . . . 0.0 108.977 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER -110.59 112.16 23.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.265 -174.043 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -147.89 45.28 0.75 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.44 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 15.8 m -67.19 122.1 17.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.947 0.404 . . . . 0.0 111.098 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -130.99 24.9 4.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.393 0.616 . . . . 0.0 109.731 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 58' ' ' SER . 34.1 p-80 -80.83 79.32 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.521 0.677 . . . . 0.0 109.974 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -151.02 17.43 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.612 -174.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -129.19 31.96 4.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.699 -0.8 . . . . 0.0 112.595 -175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -79.4 108.87 13.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 168.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' HD2' ' HG3' ' A' ' 65' ' ' MET . 3.7 t60 -67.71 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.242 -174.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.484 ' HG3' ' HD2' ' A' ' 64' ' ' HIS . 67.0 mtt -134.68 31.85 3.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.605 0.717 . . . . 0.0 109.226 174.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.497 ' O ' ' HD2' ' A' ' 122' ' ' LYS . 32.6 t70 -81.95 102.66 11.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.622 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.566 HG11 ' HD3' ' A' ' 122' ' ' LYS . 29.3 m -128.93 0.49 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.372 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -99.85 143.02 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.758 -176.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.12 157.48 13.72 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.285 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.586 ' HE2' ' HA ' ' A' ' 154' ' ' ASP . 3.2 mpp? -69.98 94.37 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.372 0.606 . . . . 0.0 109.98 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.538 ' HA ' ' HE1' ' A' ' 149' ' ' TYR . 14.8 m -72.55 131.18 42.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.63 -171.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -105.28 139.04 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.598 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.82 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -114.53 144.72 42.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.122 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.2 OUTLIER -105.94 116.06 31.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.734 173.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.605 HG22 ' HB2' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -103.1 119.34 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 173.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.92 -177.38 3.82 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.129 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.0 m120 62.04 24.09 14.3 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -170.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 82' ' ' THR . 21.5 tp -61.64 148.27 43.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.688 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.411 ' OG1' HD11 ' A' ' 137' ' ' LEU . 1.0 OUTLIER -73.42 166.79 22.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.615 -179.438 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -96.02 25.47 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.236 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 33.07 0.55 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.561 HG21 HD12 ' A' ' 78' ' ' LEU . 1.3 m -89.98 129.13 36.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -175.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -113.77 141.39 26.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.462 0.172 . . . . 0.0 111.284 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.465 ' HG3' ' HB ' ' A' ' 102' ' ' ILE . 16.5 Cg_exo -64.34 82.28 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.389 2.726 . . . . 0.0 111.89 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -179.22 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.826 HG23 HD22 ' A' ' 137' ' ' LEU . 1.3 m -54.92 -57.0 13.4 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.075 173.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.594 HD23 ' HE2' ' A' ' 91' ' ' PHE . 17.0 mt -64.16 -39.32 93.75 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.29 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.664 ' HB2' HG22 ' A' ' 100' ' ' VAL . 49.2 ttp180 -54.29 -55.8 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -52.39 -44.53 65.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.13 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 86' ' ' THR . 2.7 t -74.76 -44.06 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.785 0.326 . . . . 0.0 111.858 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.594 ' HE2' HD23 ' A' ' 87' ' ' LEU . 52.5 m-85 -73.51 -37.43 65.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -175.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.5 pt-20 -63.92 -18.96 64.74 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 110.953 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 90' ' ' VAL . 55.8 tttp -63.22 -44.9 93.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.315 175.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -83.98 -31.87 25.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.073 -175.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -161.08 -178.48 35.09 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.103 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 96' ' ' ARG . 20.2 ttt180 -79.83 97.51 6.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 110.691 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 12.2 p -103.64 139.44 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.828 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.87 -60.29 0.65 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.281 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.42 136.63 47.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 88' ' ' ARG . 9.7 m -124.15 93.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 122.119 0.961 . . . . 0.0 109.602 171.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -85.28 95.29 9.15 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.654 -173.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.465 ' HB ' ' HG3' ' A' ' 84' ' ' PRO . 32.8 mt -108.51 91.3 8.31 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.552 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 95.8 Cg_endo -85.11 -177.53 2.8 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.601 2.2 . . . . 0.0 112.249 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 105' ' ' ASP . 24.3 mtp180 -81.2 -54.7 5.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 176.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 104' ' ' ARG . 16.5 t70 172.61 90.03 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 173.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.56 ' HD3' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -78.47 150.41 33.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.42 -170.627 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.56 ' H ' ' HD3' ' A' ' 106' ' ' ARG . 53.3 m-85 72.73 159.86 0.22 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 114.673 -1.148 . . . . 0.0 109.96 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 108' ' ' THR . 10.1 t -80.44 98.36 7.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.853 0.835 . . . . 0.0 109.7 177.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -132.29 178.0 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.588 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.71 16.89 25.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.021 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.5 p -81.2 -172.44 3.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.297 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 31.87 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.317 -176.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.73 133.61 7.4 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.551 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.545 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 33.9 p90 -161.25 156.73 24.52 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.605 ' HB2' HG22 ' A' ' 75' ' ' VAL . . . -137.6 157.23 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.508 . . . . 0.0 112.219 -175.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -129.78 150.61 51.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.278 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.82 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.0 m -131.77 144.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.891 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -120.62 116.85 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 0.0 111.145 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.645 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 84.1 m-85 -98.32 170.51 8.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.193 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.85 -47.9 60.89 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.834 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.917 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 9.0 m-20 -134.78 -177.45 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 0.0 110.262 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.573 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 74.9 tttt -67.55 -28.37 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.048 176.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.917 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 6.0 ptm180 -53.25 -43.19 67.16 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.645 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 11.7 m-20 -78.81 -27.8 44.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.036 -177.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.463 ' HB1' HD23 ' A' ' 73' ' ' LEU . . . -78.35 -37.41 44.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.355 -175.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.573 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 42.9 mt-10 -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.59 -31.76 68.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 110.7 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB2' ' HD1' ' A' ' 91' ' ' PHE . . . -79.93 -53.22 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.801 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.598 ' HE2' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -68.76 -26.75 65.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.675 0.274 . . . . 0.0 111.366 -174.71 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.598 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 28.9 t70 -76.23 -38.07 56.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.279 0.561 . . . . 0.0 109.888 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.17 -49.76 16.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.754 0.788 . . . . 0.0 112.343 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 134' ' ' GLY . 80.2 mmm -90.07 10.42 24.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.294 -164.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.548 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 3.1 p-10 -79.71 10.91 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.88 0.848 . . . . 0.0 109.952 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 132' ' ' MET . . . -167.28 56.79 0.23 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.126 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.605 ' C ' ' HA ' ' A' ' 141' ' ' GLU . . . -127.76 119.87 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.335 . . . . 0.0 111.443 -173.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.639 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 44.0 t -83.19 114.04 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.972 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.826 HD22 HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.52 -19.64 30.85 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 -178.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.516 ' HB2' HD21 ' A' ' 137' ' ' LEU . 13.9 t70 -170.29 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.063 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -131.61 -24.83 0.8 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.735 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.639 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 25.4 tpt180 -121.87 142.55 50.14 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.678 0.275 . . . . 0.0 111.399 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.605 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 1.3 pm0 -77.94 106.93 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.189 165.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -53.29 145.06 14.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.836 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.432 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 26.8 tpt180 -97.76 84.39 3.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 173.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.548 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 54.8 t -90.14 112.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.895 -176.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.774 ' HA ' HE21 ' A' ' 145' ' ' GLN . 0.0 OUTLIER -119.13 150.04 40.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.476 -0.784 . . . . 0.0 108.935 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.575 ' HA ' HD12 ' A' ' 73' ' ' LEU . 44.8 ttm -64.01 116.88 6.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.63 169.25 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 111.843 -169.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -87.78 10.77 17.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.288 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . 0.538 ' HE1' ' HA ' ' A' ' 71' ' ' THR . 91.3 m-85 69.0 113.17 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 O-C-N 124.022 0.826 . . . . 0.0 110.743 -175.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.68 -28.71 73.65 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.802 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -161.7 161.29 22.37 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 26.4 Cg_exo -63.59 111.37 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.28 1.986 . . . . 0.0 110.605 172.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 41.7 Cg_endo -93.64 134.13 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.014 2.476 . . . . 0.0 113.656 -173.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.586 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 8.9 t70 -152.59 140.73 20.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 7.3 m -106.45 -2.02 22.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -170.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -139.1 -20.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.655 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -106.47 140.26 39.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.719 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.295 -0.859 . . . . 0.0 108.948 172.748 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -96.79 121.34 38.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.472 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.2 146.39 43.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.442 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.623 ' HG2' HG21 ' A' ' 51' ' ' THR . 1.2 tpmt? -118.18 123.04 44.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.426 -176.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 30' ' ' PHE . 65.8 tp -96.49 123.31 40.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.401 HD13 ' HG2' ' A' ' 15' ' ' GLU . 44.8 mm -112.18 108.15 24.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.872 HD23 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -88.6 105.02 17.38 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.185 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.682 HD22 ' HE3' ' A' ' 65' ' ' MET . 11.0 t-20 -97.25 44.33 1.05 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -71.73 167.84 52.05 Favored Glycine 0 N--CA 1.437 -1.265 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.11 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -83.32 -19.87 35.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.635 0.731 . . . . 0.0 109.029 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.2 m -120.29 -48.8 2.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.651 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.872 HD12 HD23 ' A' ' 7' ' ' LEU . 1.5 tm? -100.51 110.48 22.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.155 0.503 . . . . 0.0 110.634 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.5 tttp -120.85 106.87 12.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.474 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.544 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.38 -175.7 21.96 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.092 -1.051 . . . . 0.0 113.053 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' HD13 ' A' ' 6' ' ' ILE . 52.0 mt-10 -133.48 152.2 51.88 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.53 0.332 . . . . 0.0 110.178 178.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.437 HG21 ' HB3' ' A' ' 5' ' ' LEU . 14.3 t -164.74 153.04 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.11 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.427 ' CG2' ' HE3' ' A' ' 4' ' ' LYS . 20.4 p -126.83 165.64 18.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.508 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -157.62 145.45 18.79 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -85.0 85.17 7.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.487 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . . . -102.25 146.29 28.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.99 -174.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -99.18 -31.1 3.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.58 15.65 14.58 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 119.557 -0.857 . . . . 0.0 112.827 -168.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.01 -56.41 0.36 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.073 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.9 -29.54 70.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.413 0.625 . . . . 0.0 109.829 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 m -62.64 -34.92 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.551 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' A' ' 20' ' ' ALA . . . -71.64 -53.1 14.73 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.117 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.4 pt-20 -59.06 -33.59 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.314 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -61.43 -45.03 96.03 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.78 -36.95 72.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HB3' HD11 ' A' ' 5' ' ' LEU . 21.6 m-30 -64.68 -31.39 72.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.843 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.4 mttm -68.34 -36.72 79.67 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.066 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -64.73 -36.47 84.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.141 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.42 ' HD1' HD22 ' A' ' 7' ' ' LEU . 33.8 t80 -68.82 -51.38 41.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.04 -50.86 71.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.698 -177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.65 -38.3 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.435 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.89 -32.87 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 110.404 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.79 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 34.0 m-80 -86.37 -13.07 47.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.002 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.99 14.91 44.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.808 -0.71 . . . . 0.0 114.092 170.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.2 131.52 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.331 0.566 . . . . 0.0 111.983 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -133.09 134.09 43.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.53 -165.61 13.44 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.555 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.24 98.26 2.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -65.09 99.34 0.36 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.45 116.87 32.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.389 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 66.0 t80 -110.27 121.49 45.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.977 0.418 . . . . 0.0 111.051 -177.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -94.0 124.13 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.126 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.3 -17.54 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.147 -174.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.07 -36.37 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.5 p -110.51 -11.01 14.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HZ3' ' HB2' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 63.89 34.27 11.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.073 0.463 . . . . 0.0 110.87 -173.579 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.623 HG21 ' HG2' ' A' ' 4' ' ' LYS . 21.5 p -92.86 118.61 31.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.321 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' O ' HD13 ' A' ' 5' ' ' LEU . 58.5 m-85 -93.72 111.92 23.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 169.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 m -109.44 125.08 52.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.235 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -96.92 103.93 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 16.8 m -87.57 110.86 20.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.181 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -113.64 166.82 11.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.406 ' H ' ' CD ' ' A' ' 56' ' ' GLU . . . 89.49 -43.43 3.01 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.805 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 t -153.79 143.6 21.87 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -113.05 -5.5 13.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.563 0.697 . . . . 0.0 109.215 174.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 62' ' ' HIS . 19.6 t-80 -81.74 134.11 35.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.584 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -58.89 -47.82 83.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.73 0.3 . . . . 0.0 110.903 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 56.6 t-80 -75.16 111.35 10.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -158.57 -179.87 8.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 111.462 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -128.62 115.9 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.536 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.682 ' HE3' HD22 ' A' ' 8' ' ' ASN . 25.1 ptm -136.21 174.32 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.753 0.311 . . . . 0.0 110.883 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -99.24 125.53 44.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.755 HG23 ' HD3' ' A' ' 153' ' ' PRO . 27.2 m -112.05 156.72 13.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.201 0.524 . . . . 0.0 111.513 -174.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.12 -174.0 2.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.767 176.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.03 -126.39 7.45 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.099 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -62.37 151.55 36.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.769 0.318 . . . . 0.0 110.957 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.5 m -104.48 123.84 48.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -99.02 140.19 33.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.268 0.556 . . . . 0.0 111.1 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.706 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.8 mm? -108.92 149.35 29.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.875 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -115.06 126.07 54.28 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 0.8 OUTLIER -111.33 138.37 40.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -139.55 177.17 8.12 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 50.1 m-80 63.25 27.39 15.49 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -170.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.47 HD11 HG21 ' A' ' 82' ' ' THR . 17.6 tp -71.99 148.16 46.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.36 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 81' ' ' ARG . 4.2 p -79.66 6.68 10.07 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 76.5 m-85 70.24 -30.93 0.21 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.054 0.541 . . . . 0.0 112.279 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 79' ' ' THR . 14.7 ptm180 -77.37 -21.12 53.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.987 0.423 . . . . 0.0 110.419 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.47 HG21 HD11 ' A' ' 78' ' ' LEU . 15.7 m -54.0 125.65 19.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.704 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.78 ' O ' ' HB ' ' A' ' 86' ' ' THR . 29.5 m -99.72 155.57 36.33 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.201 177.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HA ' HD11 ' A' ' 102' ' ' ILE . 7.8 Cg_endo -50.68 -48.23 21.48 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.878 2.385 . . . . 0.0 113.059 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.24 -20.91 63.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.79 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -59.76 -56.81 17.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.71 175.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.567 HD23 ' HE2' ' A' ' 91' ' ' PHE . 14.6 mt -69.42 -38.35 77.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.938 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.445 ' HB2' HG22 ' A' ' 100' ' ' VAL . 34.2 ttt180 -53.24 -50.22 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.909 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -55.23 -46.59 75.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.119 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 86' ' ' THR . 2.8 t -74.43 -48.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 111.389 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' HE2' HD23 ' A' ' 87' ' ' LEU . 24.3 m-85 -64.14 -38.54 91.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.191 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 12.2 pt-20 -62.42 -10.69 12.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -73.73 -36.32 65.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.548 176.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -84.02 -36.63 22.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.113 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.42 -178.4 31.44 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -88.19 95.39 10.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.585 0.692 . . . . 0.0 111.043 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -85.86 139.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.515 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.68 -13.04 7.55 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.053 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -153.79 146.45 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.996 0.398 . . . . 0.0 110.484 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 88' ' ' ARG . 14.3 m -141.5 139.9 31.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.079 0.466 . . . . 0.0 110.646 175.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -133.67 112.8 11.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.55 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.768 HG12 ' HB1' ' A' ' 115' ' ' ALA . 40.2 mt -119.24 96.33 49.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.846 0.355 . . . . 0.0 111.403 -176.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -82.92 81.74 2.33 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.844 2.363 . . . . 0.0 110.59 171.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 80' ' ' TYR . 6.4 ppt_? -95.6 2.15 54.04 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.675 -173.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -96.56 162.69 13.35 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HD3' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -93.47 137.29 32.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.891 0.377 . . . . 0.0 110.569 -176.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -142.98 -175.43 4.51 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.139 177.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.5 p -51.51 -64.48 0.8 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -171.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' HG3' ' HG2' ' A' ' 110' ' ' GLU . 17.1 pttp -135.28 -158.13 0.85 Allowed 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 -178.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' A' ' 109' ' ' LYS . 9.3 mm-40 70.96 19.28 5.74 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.646 0.591 . . . . 0.0 110.711 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.5 m 65.77 -165.28 0.23 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.424 ' N ' ' HD3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -167.92 158.48 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -172.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.31 51.54 51.71 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.906 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.411 ' HE2' ' CE2' ' A' ' 116' ' ' PHE . 28.9 p90 -149.39 167.16 26.93 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.768 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -148.74 162.21 40.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.844 0.354 . . . . 0.0 111.331 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.411 ' CE2' ' HE2' ' A' ' 114' ' ' PHE . 57.2 m-85 -124.05 140.22 53.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.088 175.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.3 m -129.79 137.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.217 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 153' ' ' PRO . 30.7 ttm180 -118.75 117.18 28.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.993 0.425 . . . . 0.0 111.554 -172.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.74 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 28.7 m-85 -101.83 168.43 9.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.929 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -62.55 -66.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.722 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.485 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 5.6 m-20 -119.28 -179.21 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.375 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -69.76 -28.3 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 27.4 ptt85 -57.61 -37.54 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.74 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 22.4 m-20 -75.03 -35.13 61.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.337 0.589 . . . . 0.0 109.974 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 73' ' ' LEU . . . -74.56 -36.82 63.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.099 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.46 -54.3 48.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.28 -36.03 70.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.138 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.418 ' HB2' ' HD1' ' A' ' 91' ' ' PHE . . . -80.2 -53.13 6.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.428 -172.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.614 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.78 -34.99 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.638 0.256 . . . . 0.0 110.617 -176.28 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.487 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 10.7 t70 -66.87 -41.95 86.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.198 0.523 . . . . 0.0 110.167 178.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.92 -46.03 46.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.217 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.654 ' HA ' ' CB ' ' A' ' 135' ' ' ALA . 34.1 tpp -80.35 -16.9 53.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.579 -173.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.7 89.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.541 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 110.07 15.84 11.26 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.43 -171.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -99.3 128.47 45.43 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.1 t -93.02 103.78 15.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.873 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.679 HD11 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -84.12 -22.62 31.02 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.679 ' N ' HD11 ' A' ' 137' ' ' LEU . 34.1 t70 172.7 98.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.188 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.62 7.87 36.72 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.666 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 13.7 tpp180 -157.34 134.31 10.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.663 0.232 . . . . 0.0 110.916 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.657 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -88.06 115.77 25.77 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.379 0.609 . . . . 0.0 110.111 167.473 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.654 HD23 ' HB3' ' A' ' 137' ' ' LEU . 2.0 mm? -63.51 153.93 34.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.454 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.52 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 72.3 ttt180 -103.38 110.4 22.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.577 HG22 ' CG ' ' A' ' 132' ' ' MET . 33.6 t -123.77 111.79 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.161 0.505 . . . . 0.0 110.681 -172.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -130.6 177.06 7.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.484 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.7 mmt -69.1 138.69 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.47 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.875 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . . . -128.14 116.23 19.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.101 0.477 . . . . 0.0 111.549 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -110.09 -36.69 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 172.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . 0.477 ' CD2' ' HG2' ' A' ' 151' ' ' ARG . 42.2 t80 72.56 -57.76 0.62 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.725 174.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.06 13.11 2.47 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.119 -177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.477 ' HG2' ' CD2' ' A' ' 149' ' ' TYR . 35.5 ptt85 -146.42 164.33 25.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.477 ' HA ' HG23 ' A' ' 67' ' ' VAL . 53.6 Cg_exo -54.68 154.68 19.72 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.423 2.082 . . . . 0.0 111.937 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.755 ' HD3' HG23 ' A' ' 67' ' ' VAL . 79.6 Cg_exo -49.06 -44.23 33.56 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.4 2.733 . . . . 0.0 113.066 -175.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -162.54 149.77 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 27.6 p -111.88 11.82 20.8 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . 0.434 ' CG ' ' N ' ' A' ' 157' ' ' HIS . 3.7 p-80 -121.48 -51.13 2.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.887 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.434 ' N ' ' CG ' ' A' ' 156' ' ' HIS . 58.7 m170 42.94 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.349 1.06 . . . . 0.0 113.109 -173.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.27 -179.461 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 tpp . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.89 0.376 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -77.65 110.07 12.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.889 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 17' ' ' THR . 32.3 m-85 -106.91 136.21 47.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.865 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.638 ' HB3' HG21 ' A' ' 51' ' ' THR . 30.5 ttmt -108.84 143.08 38.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.904 0.383 . . . . 0.0 111.234 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 64.2 tp -109.0 118.92 38.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.066 173.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' A' ' 15' ' ' GLU . 47.8 mm -91.26 108.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.443 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.689 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 9.7 mt -85.84 101.1 12.53 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.48 45.84 1.04 Allowed 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.84 -164.94 40.6 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 114.931 -1.031 . . . . 0.0 113.533 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.601 ' HZ3' ' HB2' ' A' ' 10' ' ' LYS . 4.9 ttmp? -73.14 -64.39 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -109.88 16.96 21.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.238 0.542 . . . . 0.0 110.566 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD22 HD12 ' A' ' 7' ' ' LEU . 54.9 tp -137.98 117.35 12.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.789 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 21.3 ttpp -136.66 92.16 2.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.653 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.74 179.88 26.14 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.035 -175.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HG2' HD11 ' A' ' 6' ' ' ILE . 52.5 mt-10 -131.35 139.31 49.49 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -150.92 150.12 30.46 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 4' ' ' LYS . 62.9 p -125.83 156.57 39.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.813 0.34 . . . . 0.0 110.824 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 t -143.68 152.27 41.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.381 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -80.48 90.41 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.242 0.544 . . . . 0.0 110.19 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 135.63 43.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.915 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 m -77.55 -24.08 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.876 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -152.59 158.99 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.18 73.61 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.235 0.334 . . . . 0.0 111.382 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.75 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.6 m -73.93 -41.06 62.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.919 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.04 80.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.244 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.5 pt-20 -60.97 -36.61 79.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.768 -176.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.59 -42.68 99.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.988 0.423 . . . . 0.0 111.016 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.62 -42.01 83.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.271 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.5 m-30 -64.07 -36.12 82.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.229 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.5 mttt -71.54 -35.02 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.207 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.0 -43.5 95.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.082 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -68.88 -45.21 71.56 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.76 94.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.228 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -64.45 -35.78 82.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.78 -42.24 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.987 0.423 . . . . 0.0 110.62 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -78.49 -16.16 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.295 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.64 35.72 15.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.958 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 p -114.61 110.75 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.594 0.711 . . . . 0.0 110.867 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -120.67 96.6 5.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.192 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 56' ' ' GLU . . . -123.86 -168.83 13.04 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.341 -176.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 36.0 tt0 -66.89 114.12 5.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 58.9 m95 -78.99 106.58 11.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 111.182 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.425 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 12.2 p -115.72 149.6 38.17 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.395 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -136.0 123.8 22.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.0 110.293 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.538 ' HB2' ' HG1' ' A' ' 51' ' ' THR . 8.6 m-20 -89.44 117.91 28.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.952 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.09 150.38 48.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.997 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.59 -42.1 0.46 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.932 0.893 . . . . 0.0 112.224 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 p -85.54 -15.28 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.602 0.239 . . . . 0.0 111.384 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.84 31.86 11.3 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.416 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 4' ' ' LYS . 25.4 p -107.98 123.87 49.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -94.1 146.44 23.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 70.9 m -137.11 125.98 24.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.565 0.221 . . . . 0.0 110.785 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.05 104.77 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.174 0.512 . . . . 0.0 110.123 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 41.1 m -88.78 101.37 13.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.489 ' HB2' ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -131.96 98.22 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.543 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.09 37.8 93.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.662 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.419 ' OG ' HG21 ' A' ' 55' ' ' THR . 19.0 m -64.05 -28.5 69.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.949 0.404 . . . . 0.0 111.113 -176.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -87.95 92.99 9.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 62' ' ' HIS . 40.8 m-70 -82.6 23.52 0.78 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.752 -175.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -81.0 43.32 0.69 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.5 0.667 . . . . 0.0 110.271 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.446 ' HD2' ' SD ' ' A' ' 65' ' ' MET . 27.9 p-80 -147.35 107.13 3.96 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -126.19 -173.56 2.89 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.535 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 68.17 27.36 6.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.495 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.446 ' SD ' ' HD2' ' A' ' 62' ' ' HIS . 85.5 mtp -77.89 174.98 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.192 178.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -71.25 133.02 45.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.6 t 74.95 -43.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.761 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -71.02 117.64 12.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.226 0.536 . . . . 0.0 111.382 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.96 -168.97 11.48 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 173.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.4 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 0.0 OUTLIER -73.17 149.13 43.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.308 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.595 ' HB ' ' HB1' ' A' ' 125' ' ' ALA . 0.8 OUTLIER -57.11 98.22 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.495 0.664 . . . . 0.0 112.157 -172.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -103.26 135.61 44.57 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.44 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.912 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -100.28 144.41 29.33 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.434 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 1.0 OUTLIER -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 176.664 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 0.7 OUTLIER -104.36 131.14 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.91 175.01 9.96 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.51 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 18.3 m-80 60.45 26.1 15.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 109.276 -168.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.513 HD11 HG22 ' A' ' 82' ' ' THR . 24.2 tp -69.49 149.05 48.69 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.971 -172.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.427 ' HB ' ' CD ' ' A' ' 81' ' ' ARG . 33.6 p -88.96 147.62 24.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.42 30.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -173.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.427 ' CD ' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -135.31 16.67 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 109.914 173.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.513 HG22 HD11 ' A' ' 78' ' ' LEU . 34.1 m -86.68 110.5 19.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.289 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.723 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.3 p -86.2 154.43 57.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.649 ' HA ' HD13 ' A' ' 102' ' ' ILE . 6.3 Cg_endo -51.35 -43.84 46.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.868 2.379 . . . . 0.0 112.812 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.31 -28.94 68.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.49 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.723 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -54.86 -57.33 12.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.23 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' A' ' 91' ' ' PHE . 14.2 mt -69.58 -31.81 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -176.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -55.23 -55.04 35.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.164 174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.83 -41.29 97.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.123 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 86' ' ' THR . 5.2 t -73.97 -49.06 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.755 -176.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 28.8 m-85 -70.79 -31.3 68.02 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.6 -5.84 13.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.315 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.41 -47.33 86.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.114 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.406 ' HB3' ' OD2' ' A' ' 127' ' ' ASP . 79.4 m-85 -84.57 -53.27 5.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.13 -174.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.24 -174.17 13.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 0.0 112.33 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -89.17 95.35 10.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.403 0.62 . . . . 0.0 110.948 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.6 p -88.37 126.32 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.126 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.65 -45.29 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.012 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -159.18 174.26 15.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.56 171.37 17.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.271 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.646 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 31.3 t80 -131.61 82.01 2.01 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.322 0.582 . . . . 0.0 110.224 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 84' ' ' PRO . 21.4 mt -114.01 87.57 13.11 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 170.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -87.54 163.57 8.0 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.772 2.314 . . . . 0.0 113.928 -168.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -89.38 22.25 3.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.933 174.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.78 -20.24 66.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.2 171.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.769 ' HG2' ' HB3' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -82.19 108.67 15.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.532 173.68 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -165.24 -65.14 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.305 173.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.1 t -98.45 -26.73 14.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -76.26 -72.79 0.31 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.421 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.769 ' HB3' ' HG2' ' A' ' 106' ' ' ARG . 7.0 pt-20 35.39 -123.02 0.13 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.132 0.895 . . . . 0.0 111.976 -175.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.5 m 73.15 -41.06 0.49 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.542 0.737 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 110' ' ' GLU . 21.2 mmt180 -121.49 124.49 44.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.333 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.46 106.32 2.81 Favored Glycine 0 N--CA 1.442 -0.925 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.409 ' HB2' ' HZ1' ' A' ' 74' ' ' LYS . 40.9 p90 -141.38 151.11 43.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.797 0.332 . . . . 0.0 110.988 -177.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.618 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -152.85 162.76 40.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.688 175.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.646 ' HB2' ' HB3' ' A' ' 101' ' ' TYR . 92.2 m-85 -130.28 155.33 46.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.912 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.9 m -134.93 139.92 46.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -111.47 110.32 20.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.76 0.314 . . . . 0.0 111.757 -172.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.777 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 34.3 m-85 -103.12 164.2 11.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -67.81 -69.42 0.32 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.583 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.591 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 15.1 t70 -115.21 167.96 10.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.975 -174.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.713 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 60.8 tttp -56.28 -32.07 64.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.591 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 6.7 ptm180 -54.15 -42.47 69.61 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.198 0.523 . . . . 0.0 111.239 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.777 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 18.9 m-20 -79.61 -36.04 38.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.377 0.608 . . . . 0.0 109.978 -175.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.595 ' HB1' ' HB ' ' A' ' 71' ' ' THR . . . -74.26 -40.16 62.52 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.896 -175.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.713 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 1.7 mm-40 -76.37 -36.16 58.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.448 -175.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 94' ' ' TYR . 2.3 t70 -59.4 -39.36 83.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.771 0.796 . . . . 0.0 109.312 176.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.28 9.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.353 -1.294 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.729 ' HE2' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -57.76 -42.5 84.16 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 111.013 -177.269 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.729 ' HB2' ' HE2' ' A' ' 129' ' ' MET . 26.6 t70 -66.28 -42.62 88.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.18 62.16 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.238 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 26.0 tpp -86.28 -14.8 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.278 -174.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.19 87.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 171.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.668 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 114.96 26.43 3.55 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.186 -170.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.696 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.97 134.95 53.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.402 0.281 . . . . 0.0 110.954 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 16.0 t -97.99 105.72 17.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.111 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -87.82 -8.46 55.89 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.221 179.078 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.498 ' N ' HD12 ' A' ' 137' ' ' LEU . 3.6 t70 -159.58 -76.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.17 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.41 24.89 1.86 Allowed Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.59 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 12.5 tpp180 -147.05 130.93 17.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.844 -0.678 . . . . 0.0 110.084 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.696 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -76.67 106.32 8.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 167.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 137' ' ' LEU . 1.6 mm? -56.47 146.89 23.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 74.5 ttt180 -95.94 107.78 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 32.6 t -118.15 113.1 41.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.449 0.642 . . . . 0.0 110.63 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.37 170.51 13.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.19 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.2 tpp -72.46 118.83 15.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.53 105.28 17.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.369 0.604 . . . . 0.0 110.964 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -121.56 -17.16 7.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.97 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -134.18 176.27 8.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.529 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 88.45 -61.72 3.85 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.442 ' HA ' ' HD2' ' A' ' 152' ' ' PRO . 15.5 mmm-85 -133.1 91.58 27.83 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.959 0.409 . . . . 0.0 110.064 174.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 151' ' ' ARG . 37.4 Cg_endo -65.53 162.94 31.84 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 123.093 2.529 . . . . 0.0 111.489 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.18 105.7 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.763 2.309 . . . . 0.0 112.212 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -82.71 -83.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 32.9 m 77.4 -1.59 2.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.394 165.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -91.05 -23.02 20.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 168.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -150.42 112.05 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 162.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.15 -172.309 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 13.3 tpt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.658 0.266 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.473 HE21 ' CB ' ' A' ' 17' ' ' THR . 41.8 tp60 -83.25 109.76 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 17' ' ' THR . 5.4 m-85 -99.31 131.53 45.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.622 -177.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.675 ' HB3' HG22 ' A' ' 51' ' ' THR . 17.1 ttmt -105.48 134.28 48.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.186 0.517 . . . . 0.0 111.557 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 30' ' ' PHE . 62.1 tp -102.43 123.92 47.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.028 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 15' ' ' GLU . 46.0 mm -102.95 106.69 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.547 174.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.63 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.0 mp -90.85 104.46 17.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.008 0.433 . . . . 0.0 109.926 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.611 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.4 t-20 -94.84 43.13 1.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.103 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.774 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -71.97 152.43 48.7 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.719 -175.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -75.63 -28.95 59.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -96.41 -39.34 9.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.287 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.534 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 3.0 tm? -133.8 107.93 8.18 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 111.183 -175.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 47.1 mtmt -93.68 125.08 38.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 168.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.42 164.5 29.03 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.938 -1.125 . . . . 0.0 113.147 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HG2' ' HE2' ' A' ' 4' ' ' LYS . 30.7 tt0 -147.92 122.94 10.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -161.35 166.11 27.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.541 0.21 . . . . 0.0 110.644 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.528 HG21 ' HB2' ' A' ' 4' ' ' LYS . 55.1 p -131.25 161.09 33.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.278 0.561 . . . . 0.0 111.755 -176.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -142.24 147.37 36.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.766 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.47 94.69 7.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -99.07 128.76 45.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.386 -172.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.03 -26.44 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.357 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -146.69 155.1 42.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.202 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.01 74.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -69.31 -33.64 73.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.432 . . . . 0.0 110.407 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' HG21 ' A' ' 29' ' ' VAL . 26.7 m -67.84 -39.4 83.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.778 174.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.46 -52.6 57.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.127 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.82 -34.61 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.264 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -60.44 -46.06 91.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 25' ' ' THR . 32.4 t -71.23 -38.13 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.21 0.529 . . . . 0.0 110.356 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.577 ' HB3' HD23 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.67 -30.31 71.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.403 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.3 mttt -74.26 -23.92 59.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -70.06 -37.3 75.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 0.0 109.808 174.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' HD21 ' A' ' 7' ' ' LEU . 27.5 t80 -73.43 -45.94 51.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.545 176.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -60.18 -53.49 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.15 -34.45 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.489 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.97 -40.64 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 110.771 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.534 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 42.6 m-80 -87.16 -11.38 50.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.339 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 -6.05 74.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.948 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG22 ' HG3' ' A' ' 56' ' ' GLU . 2.0 p -95.82 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.222 0.534 . . . . 0.0 111.647 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.4 91.86 3.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.9 -151.7 19.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.841 -173.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.53 107.31 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.62 -0.29 . . . . 0.0 110.295 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -78.16 105.55 9.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.743 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -112.34 149.31 32.61 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -132.04 128.32 38.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -89.45 124.09 34.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.556 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -85.68 -8.91 57.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.09 0.472 . . . . 0.0 110.238 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.1 -60.28 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -92.57 -6.45 49.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.265 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.82 39.17 20.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.415 0.626 . . . . 0.0 110.459 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.675 HG22 ' HB3' ' A' ' 4' ' ' LYS . 10.6 p -104.84 131.85 51.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.898 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' HD1' ' HE2' ' A' ' 30' ' ' PHE . 45.2 m-85 -95.0 145.17 25.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -134.39 126.43 29.56 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -103.08 103.15 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 170.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.611 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 57.6 m -85.14 96.01 9.32 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.774 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 3.5 tm-20 -83.92 120.05 25.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 135.06 108.19 0.96 Allowed Glycine 0 N--CA 1.44 -1.078 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -175.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -50.77 125.93 14.52 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.804 0.442 . . . . 0.0 111.419 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.74 109.53 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.775 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.08 101.66 14.41 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' HB2' ' SD ' ' A' ' 65' ' ' MET . 20.7 p-80 -90.1 105.65 17.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.635 0.731 . . . . 0.0 111.181 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.408 ' C ' ' H ' ' A' ' 64' ' ' HIS . 9.5 p80 -145.7 105.14 3.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.065 175.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 72.48 -42.71 0.54 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.011 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' H ' ' C ' ' A' ' 62' ' ' HIS . 3.3 t60 -115.22 123.98 50.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 61' ' ' HIS . 26.5 ptm -168.73 -179.53 3.81 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.623 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t70 70.46 138.93 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.885 0.741 . . . . 0.0 111.389 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 m -67.75 105.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.543 0.687 . . . . 0.0 111.343 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -76.59 -24.19 53.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.44 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.72 -52.09 0.39 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.821 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.551 ' HB3' ' HE ' ' A' ' 118' ' ' ARG . 22.9 mtt 48.8 55.35 9.29 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.474 0.654 . . . . 0.0 110.725 -173.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.488 ' HG1' ' N ' ' A' ' 122' ' ' LYS . 16.9 m -61.0 105.67 0.5 Allowed 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.91 -174.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 m -87.73 150.56 23.52 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.351 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.814 ' HB2' HG23 ' A' ' 117' ' ' VAL . 3.2 mm? -116.3 141.66 47.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.874 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.33 113.21 25.75 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.687 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.67 HG23 HD11 ' A' ' 78' ' ' LEU . 2.9 m -107.53 123.35 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 172.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -117.39 165.96 12.89 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.787 -170.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' N ' HD21 ' A' ' 77' ' ' ASN . 0.9 OUTLIER 64.31 43.52 4.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.691 177.052 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.67 HD11 HG23 ' A' ' 75' ' ' VAL . 7.2 mp -75.71 166.02 24.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 111.623 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 81' ' ' ARG . 29.9 p -94.57 11.37 31.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.177 -171.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 72.43 -37.27 0.38 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.428 0.691 . . . . 0.0 111.784 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' A' ' 79' ' ' THR . 11.4 ptm180 -71.07 -15.94 62.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.477 HG23 HG22 ' A' ' 86' ' ' THR . 23.8 m -67.3 113.78 5.49 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.205 176.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.577 ' O ' ' HB ' ' A' ' 86' ' ' THR . 35.0 m -93.67 153.38 41.17 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.39 -175.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.12 11.74 0.15 Allowed 'Trans proline' 0 N--CA 1.48 0.705 0 C-N-CA 123.572 2.848 . . . . 0.0 114.77 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.43 -27.3 8.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 168.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.634 ' O ' HG22 ' A' ' 90' ' ' VAL . 6.1 m -52.0 -57.1 10.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.277 175.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.722 ' HG ' HD13 ' A' ' 102' ' ' ILE . 16.7 mt -66.12 -31.59 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.419 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' A' ' 100' ' ' VAL . 49.2 mtm180 -59.45 -53.04 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -56.82 -45.23 82.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.228 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 86' ' ' THR . 2.3 t -74.79 -51.05 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.82 0.343 . . . . 0.0 111.695 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.653 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 31.4 m-85 -67.94 -33.38 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -173.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 9.1 pt-20 -59.88 -18.88 47.91 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.743 0.306 . . . . 0.0 111.776 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -37.95 86.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.242 0.544 . . . . 0.0 110.445 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -85.22 -34.59 21.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.768 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.454 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -162.54 179.45 37.83 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -81.66 97.52 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.486 0.643 . . . . 0.0 110.879 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.6 p -87.37 131.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 175.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.94 -44.58 5.97 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.486 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -162.78 146.17 11.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.519 HG11 ' HG2' ' A' ' 88' ' ' ARG . 5.4 m -123.27 144.99 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -119.88 112.12 18.81 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.722 HD13 ' HG ' ' A' ' 87' ' ' LEU . 37.4 mt -114.99 93.17 33.65 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.941 0.4 . . . . 0.0 110.219 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 91.0 Cg_endo -80.69 135.58 10.34 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.661 2.241 . . . . 0.0 112.533 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -130.03 -46.95 1.12 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.723 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.414 ' HB3' ' H ' ' A' ' 106' ' ' ARG . 1.0 OUTLIER 56.89 -155.23 0.32 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.995 170.711 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.529 ' HG2' ' H ' ' A' ' 107' ' ' TYR . 3.4 ttm180 -161.62 -165.25 1.25 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -175.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.529 ' H ' ' HG2' ' A' ' 106' ' ' ARG . 50.0 m-85 69.28 -165.8 0.18 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.658 0.599 . . . . 0.0 111.1 174.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -100.01 -29.65 12.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -171.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -74.37 -70.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.705 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -114.14 102.1 9.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.797 0.332 . . . . 0.0 111.55 -174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -159.41 95.76 1.25 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.699 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 162.06 40.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.53 178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.62 104.33 3.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.99 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.554 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 28.6 p90 -159.51 173.12 16.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -160.82 167.25 27.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.205 0.526 . . . . 0.0 111.74 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.421 ' HE2' ' HE2' ' A' ' 114' ' ' PHE . 97.2 m-85 -130.5 145.68 51.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.814 HG23 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -126.88 127.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.551 ' HE ' ' HB3' ' A' ' 70' ' ' MET . 14.0 ttt180 -108.61 109.83 21.14 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.051 -172.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.5 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 39.5 m-85 -94.15 168.77 10.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.542 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -64.69 -49.98 68.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.767 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.748 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.7 t70 -141.16 169.31 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.164 -174.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.488 ' N ' ' HG1' ' A' ' 71' ' ' THR . 49.9 tttm -61.82 -27.49 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.43 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.748 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.8 ptp180 -56.82 -41.49 77.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.944 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.5 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.0 m-20 -79.78 -33.16 40.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.41 0.624 . . . . 0.0 110.133 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.429 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -72.82 -33.4 66.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.358 -173.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.504 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.77 -54.61 43.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.243 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -61.99 -27.31 68.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.414 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 91' ' ' PHE . . . -80.48 -53.01 6.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.67 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.57 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.94 -29.81 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 111.078 -175.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.55 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 18.5 t70 -72.64 -43.79 62.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.491 . . . . 0.0 109.941 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.78 -49.66 24.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.135 -174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.758 ' HB3' HG21 ' A' ' 144' ' ' VAL . 31.1 tpp -79.14 -11.8 59.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.807 -172.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.9 95.75 2.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.572 ' HA2' ' OE1' ' A' ' 141' ' ' GLU . . . 100.63 24.92 8.95 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.352 -171.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.667 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -116.57 131.89 56.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 122.709 0.404 . . . . 0.0 111.2 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.674 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.4 t -86.99 114.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.24 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.771 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.46 -18.62 35.31 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.354 178.166 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.499 ' HB2' HD22 ' A' ' 137' ' ' LEU . 9.8 t70 -160.6 -73.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.801 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.18 20.94 3.16 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.674 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.4 tpp180 -146.53 130.75 17.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.832 -0.684 . . . . 0.0 110.191 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.667 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.2 OUTLIER -76.8 120.47 22.0 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 164.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -69.03 154.42 42.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.029 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.554 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -106.37 102.65 12.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 171.197 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 132' ' ' MET . 11.2 t -111.52 113.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.486 . . . . 0.0 111.071 -171.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -129.54 162.71 27.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.125 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.549 ' O ' ' HD2' ' A' ' 153' ' ' PRO . 0.1 OUTLIER -58.68 125.57 23.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 111.044 178.509 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.54 16.53 16.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.016 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -56.17 118.81 5.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.436 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -62.21 -16.61 54.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -60.83 -39.41 96.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.815 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -167.67 95.0 0.64 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 121.008 0.433 . . . . 0.0 110.477 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -81.65 115.98 2.85 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.871 2.381 . . . . 0.0 111.728 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' A' ' 146' ' ' MET . 54.1 Cg_exo -52.63 -60.24 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.679 2.253 . . . . 0.0 111.823 177.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.8 t0 51.87 86.08 0.04 OUTLIER 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.965 0.791 . . . . 0.0 110.792 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 14.8 m -77.25 -12.81 59.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.259 -0.882 . . . . 0.0 113.246 -165.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -77.69 -2.29 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.083 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -81.78 108.15 15.08 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.394 -177.831 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.967 0.413 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.583 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 49.1 tt0 -90.07 97.17 11.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.969 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 17' ' ' THR . 18.4 m-85 -84.26 135.53 34.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.792 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.618 ' HB3' HG22 ' A' ' 51' ' ' THR . 3.1 tppp? -91.6 126.45 36.69 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.184 174.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 52' ' ' PHE . 57.6 tp -97.55 121.89 39.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.483 172.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mm -94.39 104.07 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.116 0.484 . . . . 0.0 109.704 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.899 ' HB3' HD13 ' A' ' 12' ' ' LEU . 14.5 mt -83.07 99.46 9.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.298 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.598 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 40.9 t30 -109.09 40.86 1.74 Allowed 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.802 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -83.23 173.58 51.93 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.351 -169.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 18.7 pttm -81.43 -28.49 34.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -41.75 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -136.92 165.36 26.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.976 -176.018 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 81.6 tttt -148.89 94.97 2.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 170.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.654 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.95 -175.6 22.29 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.34 -174.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE ' ' A' ' 4' ' ' LYS . 44.2 mt-10 -130.95 143.06 50.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -152.44 157.53 41.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.764 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 39.9 p -133.12 152.01 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 111.314 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.426 HG22 ' CE1' ' A' ' 30' ' ' PHE . 9.5 t -136.53 139.71 42.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.432 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 96.17 3.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.39 141.01 39.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.319 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -79.03 -23.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.037 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -149.22 157.93 43.76 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.41 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.74 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -75.13 -41.1 59.12 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.758 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.97 87.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.316 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -62.85 -28.93 70.36 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.791 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -67.18 -46.71 73.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.49 -37.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.166 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.8 m-30 -66.34 -35.68 80.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.116 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -68.47 -37.78 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.145 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.5 -48.27 80.31 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.35 -48.35 82.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.31 82.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.44 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -67.76 -36.65 80.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.16 -40.89 82.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.673 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -73.62 -38.19 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.519 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.3 23.55 4.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.48 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 12' ' ' LEU . 2.4 p -105.49 124.26 60.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.1 0.476 . . . . 0.0 110.952 177.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -119.83 85.26 2.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.62 171.52 18.35 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.214 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.52 108.74 3.92 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -68.53 112.19 5.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 p -130.34 119.25 22.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.259 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HE2' ' A' ' 3' ' ' TYR . 60.1 t80 -99.75 130.36 45.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 0.0 110.603 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -108.94 117.29 33.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.66 -32.75 66.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.248 -177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 -47.69 79.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -103.9 -2.29 26.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.751 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 61.28 38.04 16.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.618 HG22 ' HB3' ' A' ' 4' ' ' LYS . 40.7 p -110.77 142.56 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 111.984 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' HD12 ' A' ' 5' ' ' LEU . 44.7 m-85 -103.19 112.98 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -102.63 121.41 42.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.546 0.212 . . . . 0.0 111.04 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.01 103.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.0 109.961 170.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.598 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.6 m -90.91 113.71 25.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.802 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 37.3 tt0 . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.879 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -92.87 148.67 21.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.01 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -110.71 149.76 30.02 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.0 tppp? -111.21 117.0 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.043 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.584 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -106.75 127.32 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -126.88 174.94 8.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.591 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 4.3 m-20 64.29 17.3 10.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -171.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 115' ' ' ALA . 28.8 tp -63.02 133.42 54.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.385 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.466 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 2.2 p -71.54 141.3 50.1 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.422 176.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -74.82 -5.55 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 0.0 111.554 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HG2' ' HB ' ' A' ' 79' ' ' THR . 15.7 ptm180 -88.33 -0.47 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.95 0.405 . . . . 0.0 110.47 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.569 HG21 HD11 ' A' ' 78' ' ' LEU . 13.3 m -76.79 131.56 38.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.823 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.745 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.2 m -102.12 149.77 36.88 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.757 ' HA ' HD12 ' A' ' 102' ' ' ILE . 73.1 Cg_exo -49.08 -46.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.897 2.398 . . . . 0.0 113.019 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.26 -33.72 59.17 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.287 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.745 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.4 m -57.88 -57.13 14.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.002 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 91' ' ' PHE . 32.9 mt -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.577 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.431 ' HB2' HG21 ' A' ' 100' ' ' VAL . 63.9 ttt180 -58.77 -43.67 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.42 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -64.4 -37.81 88.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.217 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 86' ' ' THR . 11.4 t -74.44 -54.71 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 37.7 m-85 -61.6 -32.94 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.429 ' HA ' HG12 ' A' ' 97' ' ' VAL . 10.3 pt-20 -63.55 -13.16 38.7 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.04 -33.02 45.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.195 0.522 . . . . 0.0 110.443 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.38 -32.51 24.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.195 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -164.28 172.36 40.05 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -76.45 98.78 4.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.8 p -90.48 140.78 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.187 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.51 -50.18 3.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.19 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -157.72 165.8 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 88' ' ' ARG . 21.4 m -131.06 143.08 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.141 0.496 . . . . 0.0 110.803 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -121.61 93.79 4.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.997 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 84' ' ' PRO . 35.4 mt . . . . . 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.808 0.337 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . -148.3 160.55 42.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.987 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -121.3 145.3 48.01 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 1.01 HG22 ' HB2' ' A' ' 73' ' ' LEU . 3.0 m -132.18 131.73 61.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -108.58 117.34 33.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.929 0.395 . . . . 0.0 111.111 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.578 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 3.8 m-85 -99.96 168.34 9.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.474 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -56.7 -60.65 3.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.276 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.2 t70 -143.97 169.87 16.99 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 78.3 tttt -58.59 -33.38 69.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 0.2 OUTLIER -54.42 -37.36 65.02 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.915 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.541 ' CB ' ' HD2' ' A' ' 119' ' ' PHE . 10.2 m-20 -79.42 -34.32 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.312 0.577 . . . . 0.0 110.037 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -73.52 -31.71 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.323 -175.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.8 mt-10 -58.75 -49.89 75.96 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.388 0.43 . . . . 0.0 110.584 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -62.45 -37.79 87.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.09 -53.11 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -174.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.584 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -62.14 -38.42 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 -176.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.584 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 24.1 t70 -71.33 -41.83 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.744 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.85 -52.67 12.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.686 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 59.7 mtp -83.79 1.04 44.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.592 -167.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.42 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 18.5 t70 -71.33 86.74 0.82 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 165.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.705 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.03 23.92 4.08 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.496 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -99.58 131.19 45.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.168 0.187 . . . . 0.0 110.5 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.65 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.0 t -95.84 113.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.696 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.635 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -85.44 -15.94 41.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 110.283 178.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.488 ' N ' HD13 ' A' ' 137' ' ' LEU . 19.3 t70 -164.95 -70.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.95 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.0 35.47 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.65 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 2.3 tpm_? -156.48 127.65 6.97 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.184 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.705 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 29.3 mt-10 -78.69 113.18 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 168.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.4 mm? -63.98 144.84 56.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 110.995 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.42 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 18.9 tpp180 -92.01 86.58 5.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 30.5 t -96.18 117.92 41.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -128.12 164.9 21.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 51.6 ttm -79.86 117.63 20.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 121.254 0.55 . . . . 0.0 110.363 -178.668 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mmm . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -83.03 100.34 10.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.607 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.51 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 27.7 m-85 -93.54 137.47 32.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.901 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 51' ' ' THR . 33.2 ttmt -110.46 138.18 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.202 0.525 . . . . 0.0 111.547 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 30' ' ' PHE . 59.2 tp -99.24 121.69 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.568 174.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.3 mm -95.48 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.412 0.625 . . . . 0.0 109.515 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.677 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 11.1 mt -81.02 118.31 22.38 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.107 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 15.5 t-20 -128.53 58.88 1.55 Allowed 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 177.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.68 -153.51 29.75 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.506 -170.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.663 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.5 -63.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.223 0.535 . . . . 0.0 110.038 -177.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.7 p -114.28 -37.69 4.31 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.45 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.702 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.53 128.95 34.0 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 122.365 1.079 . . . . 0.0 111.128 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.7 mtpm? -150.79 91.4 1.72 Allowed 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.619 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.677 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.56 -174.07 19.92 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.888 -174.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 13.7 mp0 -123.94 146.25 48.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.738 0.304 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -155.94 154.69 31.55 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 4' ' ' LYS . 66.5 p -126.69 165.9 18.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 t -146.25 151.99 38.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.828 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.53 99.53 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.13 134.27 54.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.997 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.93 -19.62 16.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.726 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -158.99 172.12 18.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.944 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -62.67 -46.29 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.034 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.13 -36.58 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 111.115 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -66.1 -42.84 88.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.18 0.514 . . . . 0.0 110.476 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.16 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.661 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.1 pt-20 -60.61 -37.52 81.67 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.085 -174.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.37 -39.11 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 111.365 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -72.87 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.156 0.503 . . . . 0.0 110.121 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.63 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.7 m-30 -65.5 -31.54 72.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.248 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 66.4 mttm -68.56 -33.71 74.57 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.95 177.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -64.0 -44.33 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.91 -52.7 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.906 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.22 -46.66 89.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.535 -177.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.44 -36.88 82.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.92 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.09 -26.98 63.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.541 . . . . 0.0 110.568 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -85.44 -37.59 19.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.09 -0.27 28.41 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.002 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.522 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 1.7 p -86.3 109.86 19.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.357 0.599 . . . . 0.0 111.434 -177.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -110.23 101.58 10.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.39 176.77 16.25 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.398 -0.905 . . . . 0.0 111.83 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.53 107.86 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 73.4 m95 -67.98 103.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.911 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.53 116.19 22.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.314 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' OH ' ' HD3' ' A' ' 50' ' ' LYS . 34.9 t80 -98.78 119.91 38.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -95.1 120.44 35.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 25.7 t0 -76.75 167.18 22.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.323 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 47' ' ' ASP . . . 76.96 -43.0 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.035 0.934 . . . . 0.0 111.147 -176.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.7 p -89.67 -16.62 30.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.72 0.295 . . . . 0.0 110.568 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.2 mmtt 60.37 42.69 14.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 4' ' ' LYS . 27.5 p -113.54 124.39 52.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.5 m-85 -95.91 112.09 23.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 40.6 m -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.41 102.78 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 170.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.484 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 7.6 m -92.72 100.63 13.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.422 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.653 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.682 HG21 ' HA ' ' A' ' 122' ' ' LYS . 7.1 p . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.335 0.588 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -140.83 131.37 25.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.699 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.051 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.7 mm? -105.32 152.27 23.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 1.3 tmmt? -128.23 109.4 11.44 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.079 0.466 . . . . 0.0 109.981 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 144' ' ' VAL . 0.8 OUTLIER -84.74 130.6 35.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.654 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -124.58 168.42 13.15 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.517 -174.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 30.5 m-80 62.62 31.13 16.94 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -169.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 82' ' ' THR . 39.6 tp -79.75 142.41 35.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.993 -174.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.3 p -86.39 141.98 28.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -80.67 59.25 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.717 0.77 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -147.56 16.0 1.13 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.502 -1.226 . . . . 0.0 107.864 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.455 HG23 HG21 ' A' ' 86' ' ' THR . 92.3 m -102.65 118.43 36.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.911 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.741 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.6 m -94.26 156.75 38.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.51 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.558 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.9 Cg_endo -50.2 -50.69 12.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.953 2.435 . . . . 0.0 112.796 177.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.2 -34.22 71.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.741 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -53.12 -56.58 15.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.719 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.556 HD22 ' HE2' ' A' ' 91' ' ' PHE . 22.2 mt -74.49 -36.14 63.26 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.035 -177.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -55.58 -50.34 70.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -54.96 -41.28 70.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.71 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 86' ' ' THR . 4.3 t -74.83 -55.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.0 111.321 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.556 ' HE2' HD22 ' A' ' 87' ' ' LEU . 35.4 m-85 -64.05 -36.06 82.78 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -171.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HA ' HG12 ' A' ' 97' ' ' VAL . 13.0 pt-20 -63.14 -12.67 29.19 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -72.82 -37.18 67.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.427 . . . . 0.0 110.392 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -83.45 -33.95 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.431 -173.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.22 179.93 34.48 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -83.73 98.17 9.53 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.6 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.4 p -91.72 121.7 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.765 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.18 -45.37 6.62 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.97 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -136.49 155.2 50.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.411 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.25 125.53 66.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.47 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 2.2 t80 -85.7 -60.02 2.14 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.124 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.735 HG12 ' HB1' ' A' ' 115' ' ' ALA . 10.6 mt . . . . . 0 N--CA 1.469 0.483 0 O-C-N 124.324 1.015 . . . . 0.0 110.254 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 19.2 p90 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.735 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -141.19 144.15 34.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.799 0.333 . . . . 0.0 111.489 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 35.7 m-85 -98.84 142.23 30.62 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 1.051 HG22 ' HB2' ' A' ' 73' ' ' LEU . 2.8 m -128.32 133.49 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.852 175.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.526 0.203 . . . . 0.0 111.169 -170.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.813 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 15.6 m-85 -102.67 165.91 10.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -61.9 -67.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.276 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.544 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 1.2 t70 -129.71 -175.92 3.75 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.316 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.682 ' HA ' HG21 ' A' ' 71' ' ' THR . 75.8 tttt -68.85 -32.01 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.544 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 29.4 ptt180 -55.45 -36.48 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.813 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 8.7 m-20 -77.29 -37.53 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.133 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -73.28 -41.53 63.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.411 -174.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 50.8 mt-10 -67.21 -39.96 86.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.202 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.2 -43.65 78.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.719 0.771 . . . . 0.0 109.625 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.81 -52.71 7.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.519 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.756 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.04 -32.58 73.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.263 . . . . 0.0 111.194 -176.005 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.49 -37.91 80.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.202 0.525 . . . . 0.0 109.874 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.86 -56.21 5.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.792 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.508 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 65.7 mtp -84.9 0.27 51.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.48 -169.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -67.29 93.11 0.3 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.665 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 104.81 40.08 2.22 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.343 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.4 119.26 38.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.397 0.279 . . . . 0.0 110.774 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 41.3 t -87.23 118.36 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.147 0.975 . . . . 0.0 111.309 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.695 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -107.43 -22.85 12.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.524 -174.779 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.35 -66.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.668 0.747 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -162.71 28.09 0.25 Allowed Glycine 0 CA--C 1.498 -0.994 0 N-CA-C 107.091 -2.403 . . . . 0.0 107.091 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.616 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.3 tpp180 -151.63 128.83 11.18 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 112.35 -1.925 . . . . 0.0 108.895 -170.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.665 ' HB2' ' HA2' ' A' ' 134' ' ' GLY . 1.5 pm0 -84.39 111.84 19.81 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -56.49 143.57 34.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.165 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.6 tpp180 -90.42 82.98 5.86 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 172.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 60.6 t -84.42 109.76 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.244 0.545 . . . . 0.0 110.377 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.28 179.3 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.975 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.3 mmt -73.41 141.33 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.359 0.6 . . . . 0.0 112.542 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.746 0.307 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -105.53 125.02 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.904 0.383 . . . . 0.0 110.076 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' THR . 27.7 m-85 -110.59 142.67 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.111 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.1 ttmt -112.98 127.52 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.067 0.46 . . . . 0.0 111.314 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 52' ' ' PHE . 43.1 tp -94.49 123.23 37.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 mm -98.84 104.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.716 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.6 mt -82.24 98.16 8.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 35.6 t-20 -100.69 57.73 0.91 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -92.4 -138.28 8.34 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.942 -173.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 49.2 mtpt -120.5 -59.41 1.77 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.336 0.589 . . . . 0.0 109.625 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.0 m -90.51 -28.79 18.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.417 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 37' ' ' ASN . 58.2 tp -109.41 116.96 32.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.114 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.22 97.44 3.6 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 173.02 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.716 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.89 170.37 29.98 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.915 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 5.1 mp0 -122.53 126.67 48.28 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -134.41 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' HE3' ' A' ' 4' ' ' LYS . 42.8 p -128.25 154.35 45.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.021 0.438 . . . . 0.0 111.324 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -136.46 143.19 43.73 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -85.26 75.39 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.24 136.7 32.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.006 -173.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 m -68.6 -31.43 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.154 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.42 163.39 32.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.541 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.97 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.07 72.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.493 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.0 m -73.0 -36.0 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.058 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.04 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.238 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.7 pt-20 -61.27 -37.49 83.35 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -51.3 -48.39 62.33 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.987 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.6 t -76.4 -38.05 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.183 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 21.5 m-30 -61.59 -36.06 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 0.0 110.033 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -71.38 -37.61 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.12 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -61.06 -47.15 87.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.85 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -61.08 -50.09 74.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.44 -48.8 73.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -60.72 -38.95 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.87 -29.39 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.848 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HB3' HD22 ' A' ' 12' ' ' LEU . 19.8 m-80 -90.14 -9.82 46.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.54 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.7 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.598 -0.81 . . . . 0.0 114.008 172.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -101.65 115.27 43.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.32 0.581 . . . . 0.0 111.036 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -126.7 107.46 10.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.87 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.03 -164.32 11.19 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.705 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.06 107.18 8.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -76.67 116.05 16.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.2 p -126.92 125.79 42.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.165 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -99.15 122.98 43.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.004 0.43 . . . . 0.0 109.98 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.02 115.7 28.36 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.76 -52.55 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.13 86.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -89.56 -10.98 44.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.26 32.66 12.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.328 0.585 . . . . 0.0 109.935 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 ' HB3' ' A' ' 4' ' ' LYS . 19.5 p -110.0 148.67 31.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.709 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' O ' HD12 ' A' ' 5' ' ' LEU . 60.3 m-85 -109.18 111.79 23.6 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.0 m -102.1 118.17 36.33 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -98.3 105.66 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.641 0.734 . . . . 0.0 109.5 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 4.8 m -93.52 108.46 20.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.971 -169.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' OE1' ' HD2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 0.0 109.611 175.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 122' ' ' LYS . 14.0 p . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 120.797 0.332 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 19.7 m -115.8 138.88 50.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.6 mm? -115.14 138.84 50.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.777 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.58 109.46 22.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.958 173.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.83 124.12 53.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 7.3 t70 -135.3 170.85 15.3 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.502 -167.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 58.91 27.26 15.99 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.806 0.813 . . . . 0.0 109.118 -171.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 137' ' ' LEU . 54.6 tp -79.05 151.67 31.33 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.203 -173.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.2 p -83.44 168.99 16.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.536 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -96.25 8.35 44.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.288 0.566 . . . . 0.0 109.98 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -104.03 -3.02 25.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.18 0.514 . . . . 0.0 110.361 175.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.494 HG23 HG21 ' A' ' 86' ' ' THR . 95.1 m -73.26 122.55 22.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.346 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.768 ' O ' ' HB ' ' A' ' 86' ' ' THR . 37.9 t -91.17 151.65 43.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.463 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.607 ' HA ' HD12 ' A' ' 102' ' ' ILE . 5.4 Cg_endo -51.13 -44.2 43.97 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.673 2.249 . . . . 0.0 111.903 173.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.87 -31.16 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.659 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.768 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -59.11 -59.26 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.65 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.734 ' HG ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mp -61.73 -40.12 93.96 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.525 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -57.05 -45.95 82.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.908 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -68.72 -44.63 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.365 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 86' ' ' THR . 4.1 t -73.36 -44.72 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.857 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.734 ' HE1' ' HG ' ' A' ' 87' ' ' LEU . 67.2 m-85 -73.19 -31.29 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.0 pt-20 -64.64 -13.74 55.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.737 0.303 . . . . 0.0 111.755 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -66.07 -46.26 78.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.548 . . . . 0.0 110.268 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.85 -37.89 20.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.499 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.673 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -144.78 166.63 27.36 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.769 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -78.39 90.82 4.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.977 0.418 . . . . 0.0 110.395 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.3 p -86.15 133.44 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.117 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.7 -48.38 5.26 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.142 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -157.66 170.52 22.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.15 156.33 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.428 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -133.95 110.53 9.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.919 0.39 . . . . 0.0 110.04 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 84' ' ' PRO . 24.1 mt . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 44.8 p90 . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.448 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -140.67 167.1 22.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.899 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -131.29 149.85 52.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.34 0.59 . . . . 0.0 111.461 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.699 HG22 ' HB2' ' A' ' 73' ' ' LEU . 11.5 m -131.35 139.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.455 176.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 118' ' ' ARG . 31.5 ttt180 -111.18 108.95 18.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.485 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 49.0 m-85 -92.27 168.73 11.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.076 0.465 . . . . 0.0 111.513 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.511 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 5.7 t60 -74.1 -56.71 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.861 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.656 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 19.9 t70 -129.91 174.53 9.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.604 ' HA ' HG21 ' A' ' 71' ' ' THR . 82.3 tttt -65.98 -29.4 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.656 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 3.4 ptm180 -53.17 -38.95 63.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.673 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.1 m-20 -75.74 -37.76 59.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.13 -177.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.403 ' HB2' ' OG1' ' A' ' 71' ' ' THR . . . -66.83 -43.87 82.61 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.82 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.513 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 41.9 mt-10 -68.95 -32.03 71.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.27 -44.88 82.34 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.644 0.735 . . . . 0.0 109.45 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.55 -48.11 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.36 -172.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.934 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -58.13 -37.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 -176.674 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.4 ' HB2' ' CE ' ' A' ' 129' ' ' MET . 13.1 t70 -76.06 -45.36 34.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.3 -44.0 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -171.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.873 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 31.1 ttm -86.12 -6.42 59.01 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -168.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.05 80.33 0.94 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.547 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 129.59 10.44 2.94 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.086 -170.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.873 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -96.85 139.94 32.15 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 122.489 0.316 . . . . 0.0 111.022 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.63 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.4 t -96.5 119.36 44.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.255 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.759 ' HB3' HD21 ' A' ' 142' ' ' LEU . 1.4 pt? -107.3 -31.2 8.3 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.809 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.412 ' H ' HD23 ' A' ' 137' ' ' LEU . 43.1 m-20 -153.93 51.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -175.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.35 73.01 Favored Glycine 0 C--O 1.229 -0.195 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.642 -174.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.4 OUTLIER -148.7 130.42 15.05 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 122.948 0.499 . . . . 0.0 110.07 -178.025 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 3.2 mp0 -78.98 114.16 17.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 169.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.2 mm? -49.98 132.24 22.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.517 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.449 ' HD3' ' HB3' ' A' ' 76' ' ' ASP . 44.0 ttt180 -91.28 99.56 12.52 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.807 HG12 HD12 ' A' ' 73' ' ' LEU . 10.4 t -111.15 125.43 68.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.143 0.497 . . . . 0.0 110.264 -170.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -127.73 139.41 52.7 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.677 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.1 ttt -72.88 117.24 14.35 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.182 0.515 . . . . 0.0 111.021 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -80.66 110.86 16.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.635 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -106.25 134.86 48.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 177.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HB3' HG22 ' A' ' 51' ' ' THR . 33.5 ttmt -108.61 135.14 50.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 111.506 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 46.9 tp -100.68 125.34 47.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.02 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.4 mm -103.68 99.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 12' ' ' LEU . 4.3 mp -85.35 102.48 13.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.703 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 10.1 t-20 -94.07 51.61 1.53 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.645 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -88.0 166.08 35.13 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.39 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -80.85 -36.66 31.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 0.0 109.872 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -97.26 -48.7 5.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 7' ' ' LEU . 2.1 tm? -110.56 103.46 12.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.37 0.605 . . . . 0.0 110.419 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.0 tttm -114.86 113.27 23.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.57 172.93 29.49 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.812 -1.185 . . . . 0.0 113.276 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.25 110.22 8.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.7 t -136.42 156.29 48.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.632 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 72.5 p -123.03 166.32 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -151.92 142.15 22.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -80.14 94.68 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.357 0.598 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.78 151.61 23.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.583 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -86.47 -27.44 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.836 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.31 164.84 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.937 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.59 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.65 -33.48 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.716 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -69.49 -41.66 75.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.092 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.27 -50.13 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.514 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.8 pt-20 -57.59 -33.58 68.34 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.459 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -61.16 -46.13 91.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.24 0.543 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -71.99 -38.27 63.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.444 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.0 m-30 -64.82 -34.91 79.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.116 177.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 96.4 mttt -67.17 -41.54 85.77 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.24 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -64.9 -42.56 94.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.23 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' HD1' HD21 ' A' ' 7' ' ' LEU . 25.1 t80 -62.82 -50.66 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.35 -49.61 73.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.399 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -67.07 -35.2 79.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.278 -175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.86 -40.99 88.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 30.7 m-80 -72.97 -34.81 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.36 -19.38 5.68 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.19 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.82 115.78 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.403 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -125.54 109.07 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.26 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.68 -168.61 11.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.859 -173.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 24.3 tp10 -71.47 124.55 24.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 94.1 m95 -89.75 98.48 11.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.172 0.511 . . . . 0.0 110.883 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -106.99 110.63 22.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.506 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.42 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 34.9 t80 -100.9 137.56 39.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.983 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.15 124.93 49.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.713 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.21 177.31 8.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.2 -43.61 0.55 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.698 0.799 . . . . 0.0 110.908 -174.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -90.76 -25.36 20.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.635 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.8 mmtt 63.03 46.04 4.95 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.289 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 4' ' ' LYS . 22.3 p -115.33 130.95 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.614 -177.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 49.6 m-85 -102.63 112.77 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.594 173.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.6 m -99.89 112.72 24.97 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 54' ' ' VAL . 8.6 p -106.17 105.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.692 0.758 . . . . 0.0 109.707 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.703 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 29.5 m -93.79 123.04 36.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.503 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.645 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 14.6 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.262 0.553 . . . . 0.0 111.044 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.633 HG21 ' HA ' ' A' ' 122' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 4.4 m -101.06 131.62 46.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.181 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.768 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.3 mm? -108.45 145.07 35.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.939 177.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 14.0 tptp -106.27 114.26 28.28 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.098 177.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG12 HG13 ' A' ' 144' ' ' VAL . 1.2 m -104.68 121.79 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.93 -178.09 4.06 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m120 54.96 35.32 24.28 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -171.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 142' ' ' LEU . 24.8 tp -89.3 154.96 19.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.597 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.4 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 57.5 p -86.59 155.93 20.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -177.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -72.2 -16.03 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.292 0.568 . . . . 0.0 110.233 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.463 ' HD2' ' OD1' ' A' ' 138' ' ' ASP . 5.1 ptp180 -95.47 13.67 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.318 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.483 HG22 HD13 ' A' ' 102' ' ' ILE . 88.6 m -82.78 121.11 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.375 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.854 ' O ' ' HB ' ' A' ' 86' ' ' THR . 18.8 m -97.53 154.5 37.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.705 ' HA ' HD12 ' A' ' 102' ' ' ILE . 50.7 Cg_exo -52.94 -43.52 56.03 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.323 2.015 . . . . 0.0 112.88 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.88 -25.91 66.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.854 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -54.65 -56.89 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.977 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.2 mt -70.4 -30.94 67.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.359 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 84' ' ' PRO . 94.9 mtt180 -55.12 -53.79 51.48 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 89' ' ' ARG . 40.6 ttp-105 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.482 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 86' ' ' THR . 2.2 t -74.11 -47.78 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.082 0.468 . . . . 0.0 111.244 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.604 ' HE2' HD22 ' A' ' 87' ' ' LEU . 37.9 m-85 -71.12 -36.51 72.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.363 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HA ' HG12 ' A' ' 97' ' ' VAL . 10.4 pt-20 -58.83 -20.53 51.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -67.85 -42.21 81.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.267 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.3 -39.44 20.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.29 -175.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -143.58 166.92 26.76 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.87 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -81.66 86.44 6.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.612 . . . . 0.0 110.521 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -76.6 141.35 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.351 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.66 -35.48 1.4 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.046 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -150.53 119.36 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 111.047 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.87 156.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.801 0.334 . . . . 0.0 110.223 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -136.5 94.54 3.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.038 0.447 . . . . 0.0 110.274 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 84' ' ' PRO . 23.2 mt . . . . . 0 C--N 1.321 -0.643 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 168.0 28.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.604 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.7 m-85 -126.88 152.32 47.22 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.991 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 73' ' ' LEU . 9.2 m -136.47 137.99 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 71' ' ' THR . 79.2 mtt180 -118.8 128.56 54.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.328 0.585 . . . . 0.0 112.008 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.57 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 56.9 m-85 -107.76 170.27 8.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.515 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -54.9 -65.23 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.152 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.5 t70 -130.68 169.16 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.943 -176.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.633 ' HA ' HG21 ' A' ' 71' ' ' THR . 41.7 tttm -61.66 -26.38 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.62 0.248 . . . . 0.0 110.508 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 18.8 ptp180 -59.2 -34.94 72.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.067 0.461 . . . . 0.0 110.517 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 15.3 m-20 -79.29 -31.55 43.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.312 0.577 . . . . 0.0 109.956 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.23 -40.07 46.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.29 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.492 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 42.0 mt-10 -70.63 -32.83 70.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 0.0 110.818 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.72 -41.7 97.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.23 -52.86 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.291 -173.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.712 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.47 -33.73 73.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.738 0.304 . . . . 0.0 111.174 -175.289 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.81 -45.52 42.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.0 110.502 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.1 59.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.138 -174.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.585 ' HE1' HG12 ' A' ' 90' ' ' VAL . 27.4 tpp -74.55 -18.33 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -175.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.5 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 30.2 t70 -73.42 82.05 1.43 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 130.98 19.02 1.3 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.44 -170.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -107.72 114.58 28.64 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 122.502 0.321 . . . . 0.0 111.398 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.906 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.7 t -82.46 94.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.915 0.388 . . . . 0.0 110.216 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.58 ' O ' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -83.94 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.578 0.704 . . . . 0.0 110.532 -178.076 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.463 ' OD1' ' HD2' ' A' ' 81' ' ' ARG . 4.2 t70 -160.68 -71.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.917 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.0 25.53 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.906 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -163.16 165.18 24.81 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.729 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 26.3 mt-10 -96.69 14.48 24.83 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.946 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.652 ' H ' ' HG2' ' A' ' 140' ' ' ARG . 1.9 mm? 51.63 -166.76 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.677 -171.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.5 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 12.1 tpp180 -146.67 93.37 2.28 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 168.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 22.0 t -105.08 115.27 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -129.69 168.35 16.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 53.6 tpp -71.69 122.88 21.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.32 -0.693 0 CA-C-O 121.182 0.515 . . . . 0.0 110.946 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -81.6 112.05 18.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.94 149.06 24.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.235 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 51' ' ' THR . 27.8 ttmt -111.86 136.34 51.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.171 0.51 . . . . 0.0 111.089 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 30' ' ' PHE . 60.3 tp -102.96 123.98 47.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.957 176.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 48.7 mm -104.05 101.85 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 12' ' ' LEU . 4.1 mp -89.64 100.12 12.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.858 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.4 t-20 -97.74 49.49 1.03 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.456 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -83.07 -170.7 46.47 Favored Glycine 0 N--CA 1.44 -1.055 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.745 -174.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -89.25 -49.18 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.018 0.437 . . . . 0.0 110.434 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 m -104.18 -10.25 18.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.904 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -134.07 118.71 18.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.722 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.7 tttm -142.77 96.75 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.162 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.0 28.41 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -123.42 126.06 46.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -139.23 165.01 28.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.364 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -137.1 163.89 29.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.359 . . . . 0.0 111.239 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -154.97 146.54 23.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.694 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.26 99.56 10.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.2 149.59 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.976 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.89 -23.8 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.758 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -154.56 158.26 39.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.408 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.06 84.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.641 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -66.62 -27.28 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 29' ' ' VAL . 24.7 m -72.5 -46.93 52.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.872 175.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.442 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.4 pt-20 -61.58 -34.07 74.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -175.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -68.0 -37.96 82.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.361 . . . . 0.0 110.76 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 25' ' ' THR . 22.6 t -72.17 -34.69 50.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.433 0.635 . . . . 0.0 109.823 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.655 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.2 m-30 -66.84 -34.97 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.989 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.03 -35.9 79.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.27 -48.56 81.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.101 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.437 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.4 t80 -60.14 -51.12 70.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.432 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -63.11 -36.49 83.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.33 -36.81 77.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.64 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.2 m-80 -84.05 -8.97 58.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.768 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.44 18.49 52.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.534 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.56 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 4.7 p -121.42 129.0 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.141 0.496 . . . . 0.0 111.789 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.94 104.51 3.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.98 -151.27 8.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.888 -173.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 39.3 tt0 -70.03 96.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 77.6 m95 -68.85 112.08 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.845 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.41 114.34 16.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.44 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 49.0 t80 -98.75 131.72 44.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.296 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -111.67 116.54 30.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.362 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.44 -20.81 59.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.099 -176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -53.67 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.973 0.416 . . . . 0.0 110.847 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -86.45 -2.21 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.527 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.55 34.11 18.02 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.52 0.512 . . . . 0.0 110.422 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 24.0 p -115.21 143.31 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.522 ' O ' HD12 ' A' ' 5' ' ' LEU . 62.8 m-85 -109.34 111.78 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 166.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.411 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 59.1 m -103.17 124.81 49.29 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 121.336 -0.146 . . . . 0.0 110.768 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.74 103.45 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 170.64 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 29.5 m -86.55 100.34 12.33 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.055 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -105.9 123.81 48.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.084 0.469 . . . . 0.0 111.513 -173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.56 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 3.3 mm? -93.55 156.23 16.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.802 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 1.075 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 11.3 tmtt? -127.26 109.85 12.24 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.758 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.502 HG12 HG22 ' A' ' 144' ' ' VAL . 2.3 m -100.71 138.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.581 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.49 178.7 6.78 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 62.12 29.55 17.59 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.785 0.802 . . . . 0.0 109.041 -170.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.625 HD11 HG21 ' A' ' 82' ' ' THR . 19.6 tp -73.8 133.45 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.11 -172.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 140' ' ' ARG . 2.3 p -70.09 152.85 43.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.05 0.452 . . . . 0.0 111.682 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -82.74 21.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.488 -170.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' HD3' ' OD2' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -133.97 9.91 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.147 0.498 . . . . 0.0 110.231 175.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.625 HG21 HD11 ' A' ' 78' ' ' LEU . 54.2 m -78.85 112.12 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.13 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.782 ' O ' ' HB ' ' A' ' 86' ' ' THR . 13.8 m -92.53 158.34 38.63 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.329 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -55.84 -43.25 58.98 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.361 2.041 . . . . 0.0 112.139 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.25 -34.43 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 109.89 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.782 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -61.37 -56.55 19.03 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.196 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.626 HD22 ' HE1' ' A' ' 91' ' ' PHE . 15.6 mt -69.24 -37.43 77.97 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.649 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HA ' HG11 ' A' ' 100' ' ' VAL . 39.3 ttp180 -54.91 -51.24 66.65 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -56.76 -41.69 78.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.833 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 86' ' ' THR . 4.9 t -73.68 -49.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.943 0.402 . . . . 0.0 111.096 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.626 ' HE1' HD22 ' A' ' 87' ' ' LEU . 34.7 m-85 -71.31 -27.76 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.732 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -71.98 -6.93 45.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.95 0.405 . . . . 0.0 110.959 -179.548 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -78.27 -39.6 39.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.112 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.38 -35.4 25.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.836 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.23 175.79 31.54 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -91.41 99.27 12.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.02 0.41 . . . . 0.0 110.813 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 1.8 m -86.41 143.49 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.788 0.328 . . . . 0.0 110.288 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.79 -32.24 5.44 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.071 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -156.23 128.58 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.646 0.26 . . . . 0.0 110.583 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.578 HG12 HG13 ' A' ' 117' ' ' VAL . 27.2 m -109.94 142.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -138.48 116.23 11.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.482 HG12 ' HB1' ' A' ' 115' ' ' ALA . 27.0 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.871 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 39.7 p90 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.482 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -144.0 156.21 44.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.97 0.414 . . . . 0.0 111.31 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -113.76 142.07 46.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.797 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 100' ' ' VAL . 21.2 t -131.82 117.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.122 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -102.54 122.26 44.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.799 0.333 . . . . 0.0 111.552 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.777 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 44.8 m-85 -106.06 167.53 9.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -63.27 -62.91 1.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.661 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.816 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.0 m-20 -119.78 -178.92 3.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.084 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 49.5 tttm -72.34 -28.35 62.99 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.816 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 3.5 ptp180 -56.0 -37.85 69.67 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 176.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.777 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 12.8 m-20 -72.9 -37.3 67.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.954 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.534 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -74.84 -38.34 62.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.314 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.1 mt-10 -65.28 -46.85 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.216 -177.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.06 -32.36 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.998 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.86 -53.66 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.56 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.74 -30.08 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.293 . . . . 0.0 111.163 -174.728 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.71 -46.94 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.186 0.517 . . . . 0.0 110.064 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.25 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.601 -174.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.752 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 57.8 mtp -92.16 1.89 56.93 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -164.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.76 84.2 2.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.43 27.44 2.85 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.003 -0.998 . . . . 0.0 111.303 -168.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.752 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -108.65 140.39 42.09 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 122.22 0.208 . . . . 0.0 111.042 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.9 t -95.69 111.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.808 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.58 -15.71 44.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.97 0.414 . . . . 0.0 110.24 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.556 ' N ' HD13 ' A' ' 137' ' ' LEU . 28.5 t70 -167.93 -68.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.048 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.35 32.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.844 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.704 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -160.43 138.01 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 122.501 0.32 . . . . 0.0 110.45 -178.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.9 mp0 -79.3 110.17 14.33 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -65.83 152.4 44.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.195 0.522 . . . . 0.0 111.325 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 21.1 ttm180 -99.51 94.05 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.502 HG22 HG12 ' A' ' 75' ' ' VAL . 23.6 t -98.14 110.12 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.028 0.442 . . . . 0.0 110.169 -176.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -117.19 155.79 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.211 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 14.4 mmt -66.89 117.6 9.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 1.075 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 121.441 0.638 . . . . 0.0 111.285 -174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.531 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.1 mmt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.138 0.494 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -84.32 91.82 7.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 75.4 m-85 -93.07 118.55 31.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.222 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 51' ' ' THR . 34.9 ttmt -112.2 136.99 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 63.6 tp -96.79 116.79 29.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -94.69 100.2 10.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.2 mp -87.54 99.5 12.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.314 -178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -97.41 72.84 2.4 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.375 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.08 177.23 33.75 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 119.5 -1.333 . . . . 0.0 112.138 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -64.74 -42.07 95.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.019 0.437 . . . . 0.0 109.959 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -120.23 -41.23 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.782 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 1.9 tm? -85.08 114.98 22.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.054 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.8 tttm -134.59 112.3 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.182 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.35 167.43 29.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.457 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 27.0 mt-10 -140.98 99.59 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -137.08 147.51 46.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.099 0.476 . . . . 0.0 111.838 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.614 HG22 ' HB2' ' A' ' 4' ' ' LYS . 71.5 p -100.45 163.74 12.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.666 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -135.03 0.65 2.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.811 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 1' ' ' MET . 47.3 mt-10 36.41 73.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.876 -173.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -86.08 153.17 22.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.113 -175.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -73.91 -30.84 29.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.058 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -134.66 162.72 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.932 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.48 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.03 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 29' ' ' VAL . 24.4 m -70.29 -39.03 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.056 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.78 -51.24 67.86 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 9.6 pt-20 -61.15 -39.11 88.85 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.811 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 49.1 tptt -54.79 -44.44 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.044 0.449 . . . . 0.0 111.471 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 25' ' ' THR . 48.0 t -70.25 -35.64 63.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.379 0.609 . . . . 0.0 110.42 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.1 m-30 -68.89 -30.95 69.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.318 177.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.44 -47.22 87.03 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.065 172.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -65.54 -30.14 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.596 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.62 -55.33 6.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.325 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.27 89.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.513 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.37 -39.51 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.605 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.71 -38.24 70.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.954 0.407 . . . . 0.0 110.828 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.782 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 31.1 m-80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.51 11.03 26.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.533 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.4 129.73 62.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.157 0.504 . . . . 0.0 111.411 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -136.54 86.93 2.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.238 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.61 -172.13 31.92 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.793 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.9 107.05 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.72 116.13 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 111.307 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -134.37 149.2 50.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.65 133.92 46.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.847 0.356 . . . . 0.0 110.689 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -97.06 115.62 27.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.671 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.027 0.441 . . . . 0.0 110.689 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.9 -68.11 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.208 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -82.99 -1.25 52.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 46.8 mmtm 61.5 32.53 18.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.325 0.583 . . . . 0.0 110.129 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 ' HB3' ' A' ' 4' ' ' LYS . 7.7 p -108.26 139.63 42.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.023 -174.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -101.16 145.03 29.32 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -138.04 124.18 20.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.567 0.222 . . . . 0.0 110.8 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 m -99.08 108.62 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.745 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.8 m -91.82 98.23 11.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.381 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.567 ' O ' ' HB2' ' A' ' 119' ' ' PHE . 11.1 m . . . . . 0 N--CA 1.448 -0.57 0 CA-C-O 121.245 0.545 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 m -87.11 153.31 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.604 ' HB2' HG22 ' A' ' 117' ' ' VAL . 10.4 mt -100.54 153.16 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.865 174.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -109.87 113.42 26.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.923 172.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.598 ' HB ' HG22 ' A' ' 144' ' ' VAL . 1.3 m -99.36 127.19 52.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -129.46 179.42 5.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 4.3 m-20 62.84 23.04 13.76 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -171.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 82' ' ' THR . 19.4 tp -68.55 124.19 22.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.608 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -115.79 79.08 1.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -168.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.52 ' C ' ' HD2' ' A' ' 81' ' ' ARG . 3.6 m-85 60.91 170.14 0.1 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.174 171.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HD2' ' C ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER 45.19 11.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 170.005 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.619 HG21 HD11 ' A' ' 78' ' ' LEU . 13.8 m -80.21 109.34 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.663 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.797 ' O ' ' HB ' ' A' ' 86' ' ' THR . 6.0 t -84.02 147.02 50.05 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.96 -57.31 2.44 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.439 2.76 . . . . 0.0 113.74 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.73 -23.22 67.07 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.624 0.25 . . . . 0.0 111.267 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.797 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -54.58 -50.7 67.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.894 174.088 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 22.9 mt -70.49 -43.71 69.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.739 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 -38.82 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.727 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 42.8 ttm180 -60.28 -45.46 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.318 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 86' ' ' THR . 2.8 t -73.67 -42.99 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -176.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.664 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 61.4 m-85 -69.79 -34.89 74.34 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -65.7 -16.83 64.13 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.007 0.432 . . . . 0.0 111.463 -176.68 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.33 -41.01 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.295 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.503 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 83.3 m-85 -84.46 -43.69 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.609 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -147.95 179.94 24.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.364 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -79.49 92.67 5.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.452 0.167 . . . . 0.0 111.053 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.14 131.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.126 0.488 . . . . 0.0 109.782 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.52 -53.88 1.04 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.639 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.12 143.44 50.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.667 0.27 . . . . 0.0 110.67 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 117' ' ' VAL . 13.2 m -129.59 142.93 42.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -135.9 122.68 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.508 HD13 HG22 ' A' ' 82' ' ' THR . 59.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.65 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.0 p90 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.518 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -138.37 161.42 36.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 111.449 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -122.69 140.57 52.72 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.738 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.604 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.9 m -134.09 122.56 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.485 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -93.83 116.12 28.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.276 -172.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.567 ' HB2' ' O ' ' A' ' 71' ' ' THR . 49.2 m-85 -98.33 168.46 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 111.404 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -64.06 -62.32 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.996 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.606 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 34.7 t70 -137.22 172.14 13.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.862 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 51.6 tttm -55.68 -34.3 64.91 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.304 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.606 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.9 ptp180 -57.0 -35.55 69.34 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.003 0.43 . . . . 0.0 111.177 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 12.6 m-20 -78.35 -36.75 45.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.477 0.656 . . . . 0.0 109.819 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.37 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.321 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 51.8 mt-10 -64.25 -49.91 70.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.697 0.284 . . . . 0.0 110.534 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 1.7 t70 -53.96 -39.02 65.59 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.848 0.832 . . . . 0.0 109.525 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.58 8.72 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.285 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.596 ' HB3' ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -64.27 -29.63 70.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 -174.113 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.34 -48.89 25.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.517 . . . . 0.0 110.193 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.37 -48.51 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.523 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.664 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 30.6 tpp -69.25 -20.21 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.454 -172.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.82 84.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 131.3 9.38 2.67 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.855 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.663 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.12 127.5 38.7 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 122.966 -0.138 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.542 HG22 ' HG3' ' A' ' 141' ' ' GLU . 15.0 t -98.25 98.32 7.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.416 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.559 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -79.49 -18.01 52.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -177.13 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.559 ' N ' HD13 ' A' ' 137' ' ' LEU . 31.3 t70 -153.09 -70.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -147.56 28.94 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.56 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.665 ' HD3' ' HB3' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -160.64 133.87 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.783 0.433 . . . . 0.0 110.184 -178.735 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.6 mp0 -69.58 115.72 9.15 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -59.73 136.34 57.97 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.93 90.51 7.92 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.598 HG22 ' HB ' ' A' ' 75' ' ' VAL . 24.4 t -102.13 131.58 49.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.196 -170.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -131.24 176.72 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.331 -171.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.589 ' HE2' ' HG2' ' A' ' 129' ' ' MET . 16.1 mmt -80.29 117.66 21.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.003 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 110.817 -178.658 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.411 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 20.4 ttt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -85.39 103.9 14.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.411 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 20.1 m-85 -97.42 137.25 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.607 176.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.715 ' HB3' HG22 ' A' ' 51' ' ' THR . 34.7 ttmt -110.87 142.97 42.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.53 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.1 tp -110.52 120.99 44.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.247 175.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.95 99.67 9.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 12' ' ' LEU . 5.0 mp -80.41 99.6 8.05 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -96.04 33.05 1.78 Allowed 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -74.2 162.28 54.14 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.237 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -87.01 -25.08 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.063 0.458 . . . . 0.0 109.895 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -92.3 -13.68 29.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.089 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 7' ' ' LEU . 19.3 tp -164.93 121.93 1.54 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.197 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.5 tttm -114.7 115.05 26.47 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 171.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.489 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.92 157.27 27.2 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.163 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -127.57 106.09 8.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -133.42 163.35 29.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.506 0.193 . . . . 0.0 110.755 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.492 HG22 ' HB2' ' A' ' 4' ' ' LYS . 67.2 p -124.1 169.2 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.628 0.251 . . . . 0.0 111.171 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -149.1 151.88 35.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.077 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.3 97.89 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.27 137.8 47.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.233 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -84.74 -40.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 33.6 m-20 -106.24 157.44 17.58 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -38.7 81.74 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.93 -38.56 91.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.784 175.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 22' ' ' ASP . 26.3 m -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 110.404 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.21 -49.77 58.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.246 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 10.2 pt-20 -64.36 -26.45 68.48 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.46 -176.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.21 -50.7 72.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.324 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.3 -40.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.568 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-30 -64.36 -31.58 72.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.261 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -72.49 -35.02 68.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.97 -48.34 74.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.5 t80 -60.65 -47.95 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.15 -49.49 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.407 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.44 -38.99 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.601 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -86.13 -12.29 50.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.14 24.55 24.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.966 170.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.522 HG21 ' HA3' ' A' ' 9' ' ' GLY . 2.9 p -109.97 136.78 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.106 0.479 . . . . 0.0 111.165 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.26 141.03 34.0 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.28 -163.94 17.19 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 119.566 -1.302 . . . . 0.0 112.859 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.52 98.92 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.376 -0.412 . . . . 0.0 109.961 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -68.7 100.04 1.09 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.216 0.531 . . . . 0.0 110.498 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.92 112.68 21.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.58 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 29.6 t80 -100.44 128.31 46.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -97.57 115.76 28.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.4 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 3.5 p-10 -77.92 -14.1 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.47 -174.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.32 -58.05 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -93.07 0.04 57.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.575 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 61.26 45.23 9.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 4' ' ' LYS . 28.7 p -119.55 125.99 50.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.853 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 64.6 m-85 -90.63 145.25 24.99 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -136.06 122.66 20.91 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.85 104.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 172.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -89.06 100.27 13.08 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.784 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 45.6 tt0 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.148 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.447 -0.609 0 CA-C-O 120.835 0.35 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 11.8 m -105.17 146.67 28.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.535 -176.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.786 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -113.25 146.9 38.57 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -112.8 117.03 31.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.119 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -103.0 129.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 173.752 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -130.84 170.37 14.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.188 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.1 m120 65.67 24.49 11.59 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -172.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD11 HG21 ' A' ' 82' ' ' THR . 35.5 tp -68.74 141.78 55.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.363 -172.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 36.2 p -67.7 142.37 56.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -77.33 14.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.401 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -127.83 12.33 6.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.966 178.73 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 78' ' ' LEU . 85.0 m -70.03 128.43 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.29 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.739 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.6 m -99.85 152.32 37.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.681 ' HA ' HD12 ' A' ' 102' ' ' ILE . 52.8 Cg_exo -52.06 -45.39 39.22 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.092 2.528 . . . . 0.0 113.158 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.453 . . . . 0.0 110.02 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.739 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -52.47 -54.52 31.3 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.07 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 25.7 mt -75.36 -43.37 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.34 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -55.51 -42.96 75.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HE ' ' HB3' ' A' ' 89' ' ' ARG . 8.3 ttp180 -51.29 -46.28 62.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.738 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 86' ' ' THR . 3.6 t -74.71 -49.89 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.33 . . . . 0.0 111.166 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' HD2' ' O ' ' A' ' 87' ' ' LEU . 68.5 m-85 -63.75 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 -68.62 -7.33 32.02 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 111.595 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -75.99 -43.28 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.257 0.551 . . . . 0.0 109.786 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -83.24 -36.53 24.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.074 -173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -149.86 175.67 28.88 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.965 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -85.38 100.81 12.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.092 0.472 . . . . 0.0 110.81 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.7 p -96.44 134.33 34.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.263 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.4 -36.32 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.207 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -146.03 156.66 43.63 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.611 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 3.4 m -123.13 -55.91 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.188 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 100' ' ' VAL . 80.9 t80 67.93 89.92 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.456 0.646 . . . . 0.0 110.808 -175.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.708 HG12 ' HB1' ' A' ' 115' ' ' ALA . 43.3 mt . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.608 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 CA--C 1.518 -0.274 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.708 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -145.0 154.53 42.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.924 0.392 . . . . 0.0 111.157 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.42 164.6 13.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.472 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -144.99 135.5 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 171.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -118.62 113.77 21.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 110.975 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.501 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 72.0 m-85 -99.31 168.21 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -67.28 -44.09 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 110.725 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.673 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.9 t70 -148.28 170.64 17.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.389 -177.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.584 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 61.7 tttp -59.2 -28.05 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.673 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 13.5 ptm180 -50.75 -46.79 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.679 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.668 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.5 m-20 -79.39 -26.76 41.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -80.36 -35.61 35.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.007 -174.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.604 ' O ' ' HE3' ' A' ' 129' ' ' MET . 34.4 mm-40 -63.37 -48.19 78.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.4 -37.28 80.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.4 -53.13 13.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.869 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.604 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -64.48 -33.39 75.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.878 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.68 -42.79 73.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.77 -53.09 11.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.472 -173.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.624 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 62.3 mtp -89.46 -0.81 57.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.413 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 32.2 t70 -75.12 88.37 2.44 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 169.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.469 ' C ' ' HB3' ' A' ' 141' ' ' GLU . . . 111.63 38.05 1.5 Allowed Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.837 -168.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -125.41 114.32 18.69 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 122.549 0.339 . . . . 0.0 110.963 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.735 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 0.1 OUTLIER -82.54 124.68 39.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.089 0.471 . . . . 0.0 111.933 -177.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.93 -13.5 21.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.416 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.53 ' N ' HD13 ' A' ' 137' ' ' LEU . 23.2 t70 -160.92 -75.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.327 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -133.11 14.17 4.9 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.888 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.735 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 16.2 tpp180 -145.4 128.52 16.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.819 -0.191 . . . . 0.0 110.545 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.575 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 2.5 mp0 -71.81 104.73 3.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 167.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.2 mm? -53.41 143.95 17.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.137 0.494 . . . . 0.0 111.96 -174.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 1.9 mmp_? -96.71 100.28 11.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 170.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.413 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 47.7 t -103.14 108.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.49 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -113.14 147.91 36.41 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.139 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 5.2 tpt -63.75 117.73 7.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.381 . . . . 0.0 111.428 -173.796 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.561 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 46.8 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.649 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 28.4 tt0 -76.57 110.47 11.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -96.82 138.45 34.35 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.656 ' HB3' HG22 ' A' ' 51' ' ' THR . 24.4 ttmt -107.39 141.34 38.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.06 0.457 . . . . 0.0 111.707 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 30' ' ' PHE . 53.5 tp -108.01 124.4 50.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.889 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.6 mm -100.85 106.7 19.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 12' ' ' LEU . 5.0 mp -87.76 119.56 28.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.119 0.485 . . . . 0.0 110.157 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -116.41 47.89 1.35 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.757 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -77.66 179.72 50.64 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.615 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 42.0 mmtm -68.24 -46.93 69.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 109.978 176.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 m -105.92 -44.94 4.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.857 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -95.04 106.66 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.624 -174.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 53.0 mtpt -128.26 97.47 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.868 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.57 -176.02 22.39 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.2 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -109.9 153.27 24.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 t -163.52 158.35 20.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HB2' ' A' ' 4' ' ' LYS . 73.4 p -140.07 159.22 42.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.334 0.587 . . . . 0.0 111.451 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.498 HG22 ' CE1' ' A' ' 30' ' ' PHE . 13.7 t -146.83 129.07 15.71 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.817 169.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 44.6 mt-10 -77.23 96.02 4.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.559 0.695 . . . . 0.0 109.458 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.598 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -107.64 146.02 32.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.556 -173.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 m -75.91 -31.14 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 9.0 m-20 -129.21 159.88 34.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.822 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.12 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.032 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.42 -41.52 94.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.644 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 8.7 m -57.77 -44.41 86.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.373 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.77 63.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.735 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.83 -35.7 75.26 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.956 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 32.3 mmmt -62.31 -39.17 92.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 25' ' ' THR . 28.2 t -73.67 -38.0 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.334 0.588 . . . . 0.0 110.379 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE1' HG22 ' A' ' 18' ' ' THR . 20.3 m-30 -67.51 -30.86 70.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.124 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.3 mttt -72.83 -34.2 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.886 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -61.39 -46.88 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.88 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HD2' HD21 ' A' ' 7' ' ' LEU . 8.7 t80 -63.13 -46.92 85.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.221 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.98 75.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.543 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -64.1 -35.74 81.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.48 -32.65 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.468 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.549 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.8 m-80 -88.74 -12.28 42.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.756 0.313 . . . . 0.0 111.261 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 31.88 12.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.33 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.494 HG11 HD23 ' A' ' 7' ' ' LEU . 3.7 p -119.44 128.39 75.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.169 0.509 . . . . 0.0 110.957 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -128.61 84.94 2.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.71 -179.41 22.87 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.272 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.69 113.12 8.39 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -71.56 117.15 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 p -127.54 114.12 17.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.306 173.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -99.31 125.17 44.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.1 0.476 . . . . 0.0 110.32 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.56 115.41 30.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.41 -37.41 71.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.07 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 111.533 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -104.22 -5.28 22.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.647 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.0 mmtm 58.47 39.21 25.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.367 0.603 . . . . 0.0 110.503 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.656 HG22 ' HB3' ' A' ' 4' ' ' LYS . 13.4 p -113.95 136.08 53.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.861 -175.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.2 m-85 -102.62 128.7 49.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.405 173.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 m -116.87 124.53 49.7 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.512 0.196 . . . . 0.0 110.64 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.43 104.57 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 172.324 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 m -86.49 96.85 10.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.892 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 9.4 tp10 . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 118' ' ' ARG . 22.8 m -95.39 133.69 39.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.41 0.624 . . . . 0.0 112.526 -172.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -106.08 152.99 22.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.596 169.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.628 ' HD3' ' HB2' ' A' ' 114' ' ' PHE . 1.2 tmmt? -125.67 111.35 14.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 144' ' ' VAL . 1.5 m -86.26 138.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 11.6 t70 -130.51 173.15 11.13 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 58.85 25.76 14.0 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.726 0.774 . . . . 0.0 109.565 -173.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD11 HG21 ' A' ' 82' ' ' THR . 44.4 tp -80.95 148.95 29.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.198 -173.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 138' ' ' ASP . 3.8 p -73.59 156.39 38.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.167 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -78.58 -22.59 46.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.316 0.579 . . . . 0.0 110.071 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HD3' ' OD1' ' A' ' 138' ' ' ASP . 13.5 ptm180 -83.42 6.13 21.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.78 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 102' ' ' ILE . 14.8 m -70.28 119.95 15.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.745 0.307 . . . . 0.0 111.401 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.813 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.4 m -94.0 152.52 40.53 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.09 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.512 ' HA ' HD12 ' A' ' 102' ' ' ILE . 9.7 Cg_endo -53.79 -45.91 37.58 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.004 2.469 . . . . 0.0 113.061 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.61 -25.46 63.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.813 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.9 m -54.66 -52.13 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.215 177.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HE1' ' A' ' 91' ' ' PHE . 15.3 mt -71.36 -43.68 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.075 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -55.92 -44.93 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.517 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -53.81 -42.86 68.86 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.564 0.54 . . . . 0.0 111.571 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 86' ' ' THR . 4.6 t -74.21 -53.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.008 0.433 . . . . 0.0 110.987 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.557 ' HE1' HD22 ' A' ' 87' ' ' LEU . 50.6 m-85 -64.96 -31.98 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -7.51 40.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.696 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -75.45 -34.39 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.22 0.534 . . . . 0.0 109.844 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.42 ' HD2' ' HA ' ' A' ' 91' ' ' PHE . 51.3 m-85 -83.05 -36.55 24.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.744 -174.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -166.49 -170.69 31.71 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.218 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -82.9 98.89 9.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.738 0.304 . . . . 0.0 111.173 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.9 p -94.17 127.04 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.21 -22.07 7.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.326 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.3 119.25 7.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.135 0.467 . . . . 0.0 111.54 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.465 HG12 HG13 ' A' ' 117' ' ' VAL . 29.7 m -115.65 146.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.065 0.46 . . . . 0.0 110.529 174.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.517 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 90.7 t80 -135.54 112.17 10.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.584 HD13 HG22 ' A' ' 82' ' ' THR . 47.0 mt . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.97 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.628 ' HB2' ' HD3' ' A' ' 74' ' ' LYS . 52.6 p90 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.456 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -145.75 163.5 34.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.517 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 61.5 m-85 -115.13 140.97 48.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.024 0.44 . . . . 0.0 110.725 -178.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.465 HG13 HG12 ' A' ' 100' ' ' VAL . 27.3 t -135.47 120.88 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.22 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.411 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 86.2 mtt180 -110.64 121.08 44.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.628 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.8 m-85 -101.71 168.22 9.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.502 176.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -62.53 -53.47 54.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.79 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 32.3 t70 -132.13 168.72 17.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.957 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.588 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 55.2 tttp -60.48 -27.71 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.104 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.79 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.0 ptt180 -55.39 -41.7 73.01 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.011 0.434 . . . . 0.0 110.648 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.635 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 12.6 m-20 -78.86 -28.21 44.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.353 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.95 -38.65 36.59 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.32 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.588 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 43.7 mt-10 -64.58 -42.73 95.43 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 110.226 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.45 -42.15 77.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.89 -54.17 5.82 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.238 -173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -55.87 -38.58 70.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -174.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.483 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 15.8 t70 -72.05 -49.1 39.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.033 0.444 . . . . 0.0 110.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.4 62.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.291 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.846 ' HB3' HG21 ' A' ' 144' ' ' VAL . 86.4 mmm -87.27 -7.45 57.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.355 -176.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 13.46 0.71 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 122.781 1.276 . . . . 0.0 110.093 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.625 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . -161.22 34.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.655 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.594 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.62 130.37 52.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.668 0.27 . . . . 0.0 111.21 -176.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.842 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 10.0 t -96.88 102.87 14.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.659 0.266 . . . . 0.0 110.334 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.672 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.8 OUTLIER -89.58 -10.45 46.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.18 0.514 . . . . 0.0 110.348 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.453 ' HB3' HG21 ' A' ' 79' ' ' THR . 19.2 t70 -155.61 -75.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.765 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.53 15.73 2.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.592 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.842 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -154.89 176.75 12.1 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.625 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 33.4 mt-10 -101.08 117.41 34.97 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.148 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -58.78 138.34 57.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.615 178.554 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.651 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 20.9 tpp180 -92.92 80.65 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.846 HG21 ' HB3' ' A' ' 132' ' ' MET . 59.0 t -83.15 109.71 17.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.41 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -108.15 153.99 22.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.801 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 117.69 9.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -172.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 50.9 tpp . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.86 0.362 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.22 96.9 8.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.128 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 44.0 m-85 -82.27 141.55 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.654 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -106.19 117.84 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.817 -177.082 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 30' ' ' PHE . 47.6 tp -92.47 122.84 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -102.26 103.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.447 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 13.2 mt -83.09 124.88 30.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.216 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -136.88 115.12 11.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.914 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.04 -171.51 41.86 Favored Glycine 0 N--CA 1.436 -1.35 0 C-N-CA 118.926 -1.607 . . . . 0.0 113.529 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' HG3' ' OE1' ' A' ' 56' ' ' GLU . 41.8 mtpt -49.08 101.69 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.329 0.652 . . . . 0.0 112.058 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m 64.32 9.72 5.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.31 92.88 3.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.795 -0.566 . . . . 0.0 110.623 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.671 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 57.2 mttm -141.88 89.99 2.23 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.568 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.738 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.47 179.49 26.21 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.83 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -128.56 132.38 48.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 t -144.31 170.84 15.22 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.411 HG23 ' HE3' ' A' ' 4' ' ' LYS . 6.0 p -132.36 171.33 13.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.932 0.396 . . . . 0.0 111.025 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -153.41 147.07 25.12 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 172.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -83.03 96.8 8.46 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.37 140.3 52.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.103 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.3 -22.17 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.351 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -144.45 156.26 44.11 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.874 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.76 74.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.511 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -69.55 -46.12 67.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.312 0.577 . . . . 0.0 110.185 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.82 88.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.753 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -62.28 -31.88 72.52 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.731 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -65.41 -36.71 84.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.089 0.471 . . . . 0.0 110.99 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 t -76.22 -41.99 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.18 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.56 ' HB3' HD13 ' A' ' 5' ' ' LEU . 23.3 m-30 -61.89 -36.97 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.21 -36.64 83.56 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.47 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -63.05 -47.71 81.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.97 -48.81 80.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -50.35 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.575 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.12 -39.84 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.295 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.73 -36.82 81.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.13 -34.44 59.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.0 8.67 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.163 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -102.98 94.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.836 0.826 . . . . 0.0 110.697 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -101.21 120.03 39.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.489 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.1 -173.11 18.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.209 -174.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -83.18 125.44 31.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -92.58 112.79 24.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.104 0.478 . . . . 0.0 111.731 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.528 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 25.1 p -106.29 144.15 33.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.513 172.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 51' ' ' THR . 60.1 t80 -130.49 131.92 45.38 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.816 0.341 . . . . 0.0 110.679 -177.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.11 115.35 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.735 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -66.38 -30.41 70.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.085 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.73 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.759 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 ' OG1' ' A' ' 51' ' ' THR . 1.6 t -113.5 1.87 15.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.388 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 59.1 40.42 21.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.318 0.58 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 4' ' ' LYS . 18.2 p -106.24 139.74 40.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.125 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HD2' ' HE2' ' A' ' 30' ' ' PHE . 48.0 m-85 -113.28 112.55 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.395 171.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.528 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 13.4 m -98.81 118.92 36.65 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.5 p -97.25 104.77 16.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 m -95.41 96.85 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.045 -170.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE1' ' HG3' ' A' ' 10' ' ' LYS . 4.1 tm-20 . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 37.6 m -81.3 129.36 34.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -174.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.851 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.9 mm? -90.25 156.65 18.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.047 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 1.003 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 9.6 tmtt? -125.62 106.52 9.81 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.5 m -94.21 137.09 23.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 5.7 t70 -131.86 -179.12 5.2 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.27 -175.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 4.3 m-20 70.04 -66.75 0.26 Allowed 'General case' 0 CA--C 1.52 -0.181 0 O-C-N 124.167 0.917 . . . . 0.0 108.615 -170.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' OG1' ' A' ' 82' ' ' THR . 11.7 tp 58.11 -174.95 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.938 0.774 . . . . 0.0 111.545 170.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.582 HG21 ' HB3' ' A' ' 138' ' ' ASP . 21.1 p -108.59 -8.7 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.843 -0.536 . . . . 0.0 110.773 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 69.9 -30.62 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.553 0.741 . . . . 0.0 111.049 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 79' ' ' THR . 6.3 ptm180 -84.58 6.01 25.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 173.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.566 ' OG1' ' HG ' ' A' ' 78' ' ' LEU . 5.3 m -62.38 151.0 38.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.431 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.583 ' O ' HG22 ' A' ' 86' ' ' THR . 23.2 t -130.98 143.26 48.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.71 ' HA ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -43.63 -51.59 6.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.943 3.095 . . . . 0.0 114.302 -175.596 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.59 -29.96 71.14 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.1 t -62.54 -39.09 92.49 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.668 0.271 . . . . 0.0 110.41 -176.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.588 HD22 ' HE1' ' A' ' 91' ' ' PHE . 56.9 mt -79.57 -36.55 38.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.67 0.271 . . . . 0.0 110.702 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.641 ' HG2' HG13 ' A' ' 100' ' ' VAL . 20.5 mtm180 -63.28 -29.84 71.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.387 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -71.61 -46.72 58.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 86' ' ' THR . 7.6 t -73.23 -52.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.84 0.352 . . . . 0.0 111.619 -175.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.588 ' HE1' HD22 ' A' ' 87' ' ' LEU . 37.7 m-85 -65.71 -32.34 73.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -61.98 -21.01 64.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 111.406 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.31 -38.53 89.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.429 0.633 . . . . 0.0 110.033 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -83.63 -43.18 15.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.724 -175.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.8 169.56 32.42 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -75.79 98.54 4.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.27 0.535 . . . . 0.0 110.962 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.47 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 6.0 p -90.88 138.76 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.001 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.76 -46.0 3.27 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.868 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -158.5 174.17 15.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.641 HG13 ' HG2' ' A' ' 88' ' ' ARG . 15.5 m -125.79 -28.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 100' ' ' VAL . 86.4 t80 69.62 -74.78 0.08 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.568 0.347 . . . . 0.0 110.825 -177.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.764 HG12 ' HB1' ' A' ' 115' ' ' ALA . 38.7 mt . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.73 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 p90 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.764 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -143.29 167.11 22.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.327 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -126.79 161.93 27.04 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.313 176.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.851 HG22 ' HB2' ' A' ' 73' ' ' LEU . 12.7 m -141.1 115.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 170.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 15.8 mtm180 -90.81 106.84 18.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -172.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.702 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 4.9 m-85 -97.24 154.77 17.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -54.97 -58.5 7.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.383 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.684 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 24.0 t70 -136.93 166.67 23.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.468 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -57.5 -30.78 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.712 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.684 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.5 ptt180 -54.45 -41.62 69.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.203 0.525 . . . . 0.0 110.362 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.702 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.1 m-20 -79.04 -38.55 36.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.505 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -68.11 -35.79 78.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.319 -174.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.423 ' O ' ' HE3' ' A' ' 129' ' ' MET . 44.4 mt-10 -71.36 -32.55 68.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.62 -42.0 99.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.757 0.789 . . . . 0.0 109.042 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.04 -52.84 6.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.596 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.668 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -62.01 -35.97 80.15 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 -174.138 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.31 -42.23 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 110.161 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -53.5 9.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.507 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.577 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 78.7 mmm -76.87 -4.53 44.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.705 -166.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.516 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 25.6 t70 -72.85 81.49 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.704 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 127.82 11.28 3.28 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.772 -170.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.698 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.86 138.7 31.73 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.113 0.165 . . . . 0.0 111.054 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.685 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 9.7 t -102.32 110.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.859 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -90.11 -7.14 54.48 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.091 0.472 . . . . 0.0 110.971 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.582 ' HB3' HG21 ' A' ' 79' ' ' THR . 27.6 t70 -169.07 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.809 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -144.97 28.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.685 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -148.82 138.31 21.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.72 0.408 . . . . 0.0 110.253 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.704 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 43.9 mt-10 -83.83 112.1 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -58.57 137.29 57.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.516 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 22.5 mmt180 -90.8 82.0 5.73 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 172.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.48 HG22 HG12 ' A' ' 75' ' ' VAL . 38.5 t -87.92 114.52 26.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.712 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -126.57 148.99 49.68 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.1 ttm -70.6 117.34 12.0 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 1.003 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 110.6 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.404 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 24.9 tt0 53.76 93.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.294 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.54 ' O ' ' HA ' ' A' ' 17' ' ' THR . 3.8 m-85 -87.76 147.86 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.557 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.755 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 13.7 tppt? -107.94 127.55 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.899 0.381 . . . . 0.0 110.928 -178.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 30' ' ' PHE . 41.2 tp -97.52 125.27 42.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.946 173.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 15' ' ' GLU . 48.7 mm -106.41 103.2 15.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.5 mp -86.62 99.78 11.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.05 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.712 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.9 t-20 -99.24 48.95 0.95 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.568 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -92.3 -163.58 37.9 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.048 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -98.81 127.78 44.83 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m 71.89 -50.0 0.69 Allowed 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.572 0.545 . . . . 0.0 111.252 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 HD22 ' A' ' 7' ' ' LEU . 2.3 tm? -94.87 100.79 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 109.951 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 37.8 mtmm -126.92 107.34 10.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.436 174.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.501 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.64 -174.35 21.62 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.392 -0.909 . . . . 0.0 111.527 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.755 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -148.85 141.87 24.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 174.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -158.02 173.46 16.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.248 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 66.7 p -130.93 154.97 47.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.476 0.655 . . . . 0.0 112.418 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 30' ' ' PHE . 8.8 t -133.55 134.67 43.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.593 170.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.06 72.58 4.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.424 0.631 . . . . 0.0 109.55 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.42 141.39 30.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.902 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.09 -8.71 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 18.4 t70 -150.81 153.57 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.69 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -71.61 -24.42 61.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 32.3 m -71.78 -42.48 67.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 0.0 109.591 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.78 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.354 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 10.7 pt-20 -59.75 -36.33 76.42 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.758 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.85 -33.94 77.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.414 . . . . 0.0 111.169 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.34 -40.95 35.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.272 0.558 . . . . 0.0 110.232 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.631 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.2 m-30 -68.07 -35.83 78.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.192 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -76.19 -21.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.088 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -73.84 -46.24 46.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -60.34 -47.27 86.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.412 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.07 86.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -67.54 -30.02 69.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 111.002 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -72.7 -45.9 56.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.425 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.57 -27.76 64.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.76 31.62 6.27 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.922 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.2 p -111.68 127.17 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.241 0.544 . . . . 0.0 110.994 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -124.37 114.02 18.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.621 176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -144.56 -176.96 19.03 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.849 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.01 120.9 15.6 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.536 0.334 . . . . 0.0 110.131 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -91.54 105.52 17.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.095 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.3 p -115.88 120.96 40.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.126 174.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -111.21 128.22 55.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.059 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -99.77 121.34 41.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.794 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.33 -24.83 60.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.819 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -49.06 29.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 p -91.46 -7.47 50.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.842 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm 61.7 40.31 13.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.1 0.476 . . . . 0.0 110.498 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.653 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.2 p -113.45 126.89 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.019 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -97.32 112.45 24.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 m -101.67 112.24 24.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.3 p -99.94 104.81 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.614 0.721 . . . . 0.0 109.393 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.712 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.2 m -102.49 111.07 23.21 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.526 -173.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.497 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 4.4 tm-20 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.946 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.497 HG21 ' HA ' ' A' ' 122' ' ' LYS . 1.1 m . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 121.399 0.619 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.5 m -105.89 149.14 26.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.159 -174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.913 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -115.62 145.66 42.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.218 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -113.59 113.47 25.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.424 HG22 ' HB3' ' A' ' 115' ' ' ALA . 2.0 m -96.78 134.02 36.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.25 175.65 8.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.79 24.85 14.74 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.856 0.836 . . . . 0.0 109.279 -172.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.515 HD11 HG21 ' A' ' 82' ' ' THR . 36.9 tp -84.83 158.72 20.58 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.563 -174.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.443 HG23 ' HD3' ' A' ' 140' ' ' ARG . 25.5 p -101.06 142.81 31.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.992 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -76.23 78.9 3.02 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.751 0.786 . . . . 0.0 109.801 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -174.94 -25.64 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.393 -1.276 . . . . 0.0 107.794 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 78' ' ' LEU . 67.9 m -62.36 109.42 1.34 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.326 -1.307 . . . . 0.0 110.443 174.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.808 ' O ' ' HB ' ' A' ' 86' ' ' THR . 43.6 m -90.62 158.67 42.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.366 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.659 ' HA ' HD12 ' A' ' 102' ' ' ILE . 66.0 Cg_exo -49.52 -46.98 24.39 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.582 2.188 . . . . 0.0 113.362 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.85 -25.64 67.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.808 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.5 m -59.84 -56.36 22.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.388 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.602 HD22 ' HE2' ' A' ' 91' ' ' PHE . 20.8 mt -69.69 -39.26 77.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.06 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -51.53 -50.54 59.81 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.5 ttp85 -51.62 -47.88 63.49 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.859 0.724 . . . . 0.0 112.119 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 86' ' ' THR . 2.5 t -74.81 -45.0 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.733 0.301 . . . . 0.0 111.626 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.602 ' HE2' HD22 ' A' ' 87' ' ' LEU . 51.9 m-85 -71.67 -35.97 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -16.69 61.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.813 0.34 . . . . 0.0 111.772 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -66.28 -39.96 89.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 110.061 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -83.31 -44.52 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.248 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -148.42 -178.84 23.87 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.119 -1.039 . . . . 0.0 112.953 -177.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -83.72 94.66 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.401 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 7.4 p -99.78 132.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.3 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.82 -16.94 7.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.699 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD2' ' HD3' ' A' ' 118' ' ' ARG . 24.5 t70 -153.37 149.24 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 15.7 m -131.35 -51.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.762 0.315 . . . . 0.0 110.749 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.43 ' N ' HG23 ' A' ' 100' ' ' VAL . 30.5 t80 59.85 83.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 84' ' ' PRO . 73.8 mt . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.6 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.2 162.09 41.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.349 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 91.6 m-85 -115.48 158.7 22.18 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.73 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -142.86 132.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.79 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.432 ' HD3' ' OD2' ' A' ' 99' ' ' ASP . 5.5 mpt_? -113.94 111.41 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.106 0.479 . . . . 0.0 111.018 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.719 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.2 m-85 -94.28 168.56 10.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.281 175.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -66.88 -54.44 22.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -134.87 179.47 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.948 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.586 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 53.7 tttp -64.02 -33.09 74.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.169 -177.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.404 ' HE ' ' CG ' ' A' ' 124' ' ' ASP . 0.9 OUTLIER -52.2 -42.12 63.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.719 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 17.1 m-20 -79.06 -32.73 44.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.353 0.597 . . . . 0.0 110.259 -176.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.429 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -76.55 -38.92 54.25 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.303 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.586 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 32.2 mt-10 -68.92 -42.7 76.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.224 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.54 -36.34 69.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.87 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.6 -53.73 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.244 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.55 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.21 -31.29 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.568 0.223 . . . . 0.0 111.217 -174.038 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.89 -39.03 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.52 -48.4 22.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.57 -177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.751 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 34.8 ttm -89.87 -9.45 48.96 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.63 85.99 0.9 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 118.0 23.22 3.66 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.515 -169.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.751 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -105.26 143.11 33.89 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 122.779 -0.248 . . . . 0.0 111.026 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.3 t -105.7 102.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.648 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.01 -5.21 53.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.384 0.612 . . . . 0.0 110.223 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.447 ' N ' HD13 ' A' ' 137' ' ' LEU . 21.4 t70 -157.03 -66.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.801 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -158.18 25.83 0.41 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.752 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.851 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -161.86 179.02 8.39 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.743 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 29.5 mt-10 -103.86 111.96 24.72 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.994 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.9 mm? -57.99 138.31 56.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.894 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 143' ' ' ARG . 23.9 mmt180 -98.75 85.49 3.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.171 0.51 . . . . 0.0 109.953 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 132' ' ' MET . 19.1 t -87.94 108.47 18.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.032 -176.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -113.78 139.88 48.75 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.859 -176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.554 ' HA ' HD13 ' A' ' 73' ' ' LEU . 36.7 ttm -72.33 117.61 14.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.836 -170.813 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -86.43 112.06 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' THR . 9.6 m-85 -101.35 130.36 47.52 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.668 ' HB3' HG22 ' A' ' 51' ' ' THR . 32.4 ttmt -104.67 130.92 52.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.018 0.437 . . . . 0.0 111.344 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 30' ' ' PHE . 54.0 tp -97.76 123.45 41.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -94.94 101.49 12.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.91 HD22 HD23 ' A' ' 12' ' ' LEU . 4.7 mp -81.64 106.61 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -104.79 37.55 2.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.39 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -90.66 172.7 37.67 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.344 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -33.44 37.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.559 175.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -79.91 -30.13 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.055 0.455 . . . . 0.0 111.02 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.91 HD23 HD22 ' A' ' 7' ' ' LEU . 17.0 tp -147.77 124.42 11.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.72 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.2 tttp -126.15 83.9 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.4 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.04 -178.52 24.14 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.016 -1.087 . . . . 0.0 112.475 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.8 mp0 -116.89 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -147.95 156.89 43.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 22.1 p -134.11 163.16 30.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 0.0 112.103 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.4 t -151.42 152.96 33.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.562 174.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.22 94.86 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.0 109.586 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.7 148.53 26.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.059 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.64 -13.35 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.68 155.06 35.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.888 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.27 87.58 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.292 0.37 . . . . 0.0 111.457 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.2 -37.09 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.065 0.459 . . . . 0.0 110.249 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -66.24 -35.32 80.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.188 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -50.78 61.74 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.985 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.3 pt-20 -61.2 -36.7 80.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -51.4 -48.85 62.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.271 0.557 . . . . 0.0 111.189 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.35 -35.18 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.968 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.2 m-30 -65.88 -31.65 72.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.119 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 25.7 mtpp -71.47 -29.21 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.357 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -66.32 -48.79 69.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.253 0.549 . . . . 0.0 109.667 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.481 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.0 t80 -62.05 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.486 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -66.27 -41.47 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -67.52 -35.48 79.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.837 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.34 -35.95 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.25 0.547 . . . . 0.0 110.23 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' CG ' HD22 ' A' ' 12' ' ' LEU . 47.1 m-80 -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.98 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.84 36.37 3.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.324 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.483 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.2 p -121.77 94.65 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-O 121.879 0.847 . . . . 0.0 111.624 174.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -103.33 85.03 2.41 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.71 -169.71 31.27 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.06 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -73.48 111.64 8.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -74.62 107.36 6.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.092 0.472 . . . . 0.0 112.002 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.0 p -115.91 143.3 45.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.726 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -126.72 136.05 51.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 0.0 110.988 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -111.17 125.59 53.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.252 175.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -86.77 -23.17 25.52 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.598 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.86 77.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.1 p -100.85 -2.8 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.319 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 59.93 39.92 19.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.406 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 4' ' ' LYS . 35.7 p -110.44 142.35 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.226 0.536 . . . . 0.0 111.752 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -105.89 145.17 31.61 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 m -132.74 120.05 21.14 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.22 103.5 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 121.22 0.534 . . . . 0.0 109.708 173.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -91.36 96.32 10.46 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.623 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 43.1 tt0 . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.685 HG21 ' HA ' ' A' ' 122' ' ' LYS . 2.5 p . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.135 0.493 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -105.34 131.62 52.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.636 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.858 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -109.08 145.57 35.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.27 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.752 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 18.5 tptp -111.63 113.36 25.7 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.024 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.93 125.11 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -121.39 176.02 5.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.449 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 44.3 m-80 62.6 19.87 11.61 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 124.019 0.825 . . . . 0.0 109.052 -172.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 82' ' ' THR . 26.5 tp -62.86 133.09 54.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.654 -174.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 4.2 p -64.47 147.52 52.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.996 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.07 -33.73 76.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.567 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -93.0 29.21 1.89 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.865 0.364 . . . . 0.0 111.863 -175.599 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.627 HG21 HD11 ' A' ' 78' ' ' LEU . 17.6 m -83.35 118.02 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.424 176.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.617 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.4 p -93.89 153.67 40.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 122.326 -0.234 . . . . 0.0 110.469 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -51.48 -41.57 59.54 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.002 2.468 . . . . 0.0 112.822 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.32 -36.22 79.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.116 0.484 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -58.35 -57.95 10.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.3 -177.116 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.2 mt -64.3 -42.2 96.48 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.172 -175.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -55.9 -51.03 69.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -61.91 -37.64 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.61 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 86' ' ' THR . 13.4 t -73.4 -50.08 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.849 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.609 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 25.3 m-85 -65.5 -34.89 79.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.104 -175.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.5 pt-20 -70.57 1.59 5.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -72.01 -45.06 62.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.016 0.436 . . . . 0.0 110.144 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 70.7 m-85 -84.79 -41.12 16.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.419 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -137.79 -174.17 13.26 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -102.25 94.83 5.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.204 1.002 . . . . 0.0 110.865 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.0 p -88.82 134.57 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.979 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.49 -35.29 1.61 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.449 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.94 110.13 12.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.201 0.501 . . . . 0.0 111.152 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.3 150.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.702 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.05 103.45 4.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.329 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.747 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 36.3 p90 . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 167.24 30.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.857 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.9 m-85 -124.32 146.06 49.04 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.555 178.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.858 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -133.43 138.71 50.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.389 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 97' ' ' VAL . 26.9 ttm180 -117.12 115.44 25.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.0 112.322 -175.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.719 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 56.8 m-85 -96.53 170.76 8.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.627 175.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -70.64 -73.1 0.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.646 0.26 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.903 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 50.6 m-20 -109.21 179.75 4.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.9 0.381 . . . . 0.0 110.347 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.685 ' HA ' HG21 ' A' ' 71' ' ' THR . 46.0 tttm -67.81 -27.01 66.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.903 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 16.2 ptt180 -54.11 -42.93 69.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.904 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.719 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 14.3 m-20 -74.52 -36.41 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.565 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.56 -38.3 59.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.703 -173.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.562 ' O ' ' HE3' ' A' ' 129' ' ' MET . 38.6 mt-10 -62.98 -48.39 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.051 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 58.5 m-20 -59.83 -31.21 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.538 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.38 -54.44 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.647 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.81 -30.9 71.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 -173.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 129' ' ' MET . 30.5 t70 -74.23 -45.2 49.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.171 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.59 -42.86 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.609 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.3 tpp -76.59 -17.58 59.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.629 -172.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.21 91.57 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.598 ' CA ' ' HB3' ' A' ' 141' ' ' GLU . . . 117.99 12.23 7.86 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.305 -170.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.72 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -100.68 126.36 47.2 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 122.996 0.519 . . . . 0.0 111.315 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.54 HG22 ' HG3' ' A' ' 141' ' ' GLU . 17.9 t -92.65 103.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.825 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -81.82 -12.48 58.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.396 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.502 ' N ' HD13 ' A' ' 137' ' ' LEU . 15.9 t70 -162.98 -72.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.324 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -136.38 10.99 4.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.225 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 3.1 tpm_? -146.31 135.89 23.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.886 -0.185 . . . . 0.0 111.077 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.72 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.4 mp0 -68.86 113.91 6.72 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 165.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -55.81 144.99 25.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.222 0.534 . . . . 0.0 111.493 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -100.51 91.24 4.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 132' ' ' MET . 21.4 t -104.23 117.44 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -124.85 162.68 23.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.403 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.39 116.8 9.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 110.254 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.752 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.535 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -87.18 102.62 14.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.97 0.414 . . . . 0.0 111.327 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -103.21 140.94 36.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.99 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HB3' HG22 ' A' ' 51' ' ' THR . 26.8 ttmt -118.17 138.08 52.55 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 111.707 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' ' 30' ' ' PHE . 49.7 tp -99.44 119.91 38.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.958 173.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.644 HD13 ' HB3' ' A' ' 15' ' ' GLU . 46.4 mm -98.58 106.89 19.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.819 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.54 100.49 13.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.206 0.527 . . . . 0.0 110.374 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -98.93 51.51 0.97 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -80.89 177.04 54.53 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.241 -171.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -59.53 -41.8 90.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 m -124.89 -39.85 2.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.791 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.819 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -83.46 105.84 14.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.66 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.9 ttmm -120.89 97.12 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.755 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.62 -174.52 21.75 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.764 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.644 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -144.33 135.93 25.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.153 0.501 . . . . 0.0 111.032 174.405 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -138.63 156.13 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.8 p -126.81 152.77 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.098 0.475 . . . . 0.0 111.302 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.434 HG22 ' CE1' ' A' ' 30' ' ' PHE . 11.5 t -140.44 145.85 37.51 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 172.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -88.62 92.16 9.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.386 0.612 . . . . 0.0 109.695 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -108.57 153.38 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.663 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -90.88 -22.63 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.9 t70 -136.01 151.1 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.39 94.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.439 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.78 -25.5 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.22 0.533 . . . . 0.0 110.278 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 28.3 m -73.81 -43.74 57.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.053 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -63.24 -47.09 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.672 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.8 pt-20 -61.51 -34.23 75.15 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.314 -175.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HD2' ' HD2' ' A' ' 31' ' ' LYS . 26.3 mmmt -63.08 -37.87 88.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.155 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.6 -37.64 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.381 0.61 . . . . 0.0 109.94 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.3 m-30 -67.42 -30.7 70.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.045 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.34 -32.91 73.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.62 -30.08 70.28 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.646 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.442 ' HD2' HD21 ' A' ' 7' ' ' LEU . 30.1 t80 -80.88 -43.13 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 109.956 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -64.45 -49.6 70.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.14 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.06 -27.47 68.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.75 -39.94 80.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.563 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 39.4 m-80 -90.25 -14.96 32.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.485 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.23 29.11 11.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.162 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.447 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.1 p -117.28 122.89 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.192 0.52 . . . . 0.0 111.609 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.96 102.34 6.47 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.59 -170.17 13.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.203 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -68.93 105.8 2.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 69.3 m95 -68.3 107.26 2.76 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.623 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 110.57 16.04 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.322 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 52.9 t80 -101.88 128.11 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 111.45 -176.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.67 116.04 30.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.288 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.92 -39.82 95.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.925 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.17 -47.8 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.173 -174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 p -93.19 -6.09 48.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 62.92 37.46 12.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.076 0.465 . . . . 0.0 110.356 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 4' ' ' LYS . 36.0 p -110.01 130.53 55.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.894 -175.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' LEU . 70.4 m-85 -102.11 112.3 24.91 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 172.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.7 m -103.94 127.7 51.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.456 0.17 . . . . 0.0 110.557 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -98.08 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.414 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 m -87.69 105.15 17.17 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.871 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.582 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.163 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 120.68 0.276 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 m -107.92 133.67 51.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.014 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.981 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -100.92 155.78 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.808 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 23.0 tptp -121.36 105.46 10.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -102.56 127.53 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' OD1' ' HB3' ' A' ' 114' ' ' PHE . 11.5 m-20 -124.26 178.89 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.682 0.277 . . . . 0.0 111.177 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 61.68 30.04 18.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.908 -173.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 82' ' ' THR . 27.3 tp -73.1 143.92 47.2 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.207 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.411 ' HB ' ' HD3' ' A' ' 81' ' ' ARG . 24.0 p -83.79 152.46 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.725 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -82.34 51.36 1.8 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.258 0.552 . . . . 0.0 110.983 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' HD3' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -157.82 11.77 0.2 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.938 175.041 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.583 HG21 HD11 ' A' ' 78' ' ' LEU . 20.4 m -91.16 108.18 19.7 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.729 ' O ' ' HB ' ' A' ' 86' ' ' THR . 56.9 m -90.78 157.57 43.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.58 ' HA ' HD12 ' A' ' 102' ' ' ILE . 4.3 Cg_endo -49.76 -44.28 36.89 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.606 2.204 . . . . 0.0 112.76 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.81 -33.23 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.824 0.345 . . . . 0.0 110.308 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.7 m -54.04 -58.23 8.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.62 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.561 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.8 mt -70.39 -37.67 74.55 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.758 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -54.86 -44.45 74.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm-85 -69.52 -39.59 77.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.659 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 86' ' ' THR . 3.8 t -74.57 -43.07 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.125 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' HG11 ' A' ' 117' ' ' VAL . 30.8 m-85 -69.55 -36.9 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.667 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -61.42 -19.06 61.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.595 -179.517 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.14 -39.14 89.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 109.894 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.64 -49.02 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.003 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.667 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -141.68 167.61 25.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -82.2 101.15 10.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.531 0.681 . . . . 0.0 110.265 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.407 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 3.0 p -87.58 136.8 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.783 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.09 -51.77 1.86 Allowed Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.217 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.5 161.21 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.42 160.04 37.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.147 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.449 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 54.5 t80 -139.45 94.88 2.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.347 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.616 HG12 ' HB1' ' A' ' 115' ' ' ALA . 48.1 mt . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.404 ' HB3' ' OD1' ' A' ' 76' ' ' ASP . 29.5 p90 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.616 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -146.5 153.71 40.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 89.8 m-85 -113.66 147.0 38.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.895 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.981 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.8 m -132.02 136.1 57.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -111.88 111.48 22.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.74 0.305 . . . . 0.0 111.47 -171.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.598 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 66.3 m-85 -98.33 169.73 9.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.498 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -73.65 -51.3 17.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.833 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 8.7 m-20 -127.63 176.05 7.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.035 0.445 . . . . 0.0 110.554 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -70.43 -20.51 62.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.705 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.833 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 31.0 ptt180 -55.66 -44.61 77.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.761 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 9.6 m-20 -77.24 -32.16 55.54 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.436 0.636 . . . . 0.0 109.531 -176.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -69.51 -42.98 74.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.043 -176.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.525 ' O ' ' HE3' ' A' ' 129' ' ' MET . 35.2 mt-10 -63.67 -48.7 76.14 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.934 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.89 -30.57 70.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.502 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.62 -54.44 5.65 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.61 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.46 -39.87 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.793 -175.148 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.04 -40.31 94.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.67 -50.36 17.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.035 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.861 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 35.5 ttm -80.25 -11.52 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -172.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.57 84.05 0.28 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.493 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 121.04 11.44 6.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.653 -171.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.861 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -101.44 131.62 47.46 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 122.478 0.311 . . . . 0.0 110.772 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.677 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 23.1 t -93.66 113.72 28.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.873 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.631 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.36 -17.46 34.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.239 178.423 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.564 ' N ' HD13 ' A' ' 137' ' ' LEU . 19.3 t70 -159.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.937 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.87 22.07 2.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -145.73 129.91 17.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.27 . . . . 0.0 111.129 -177.701 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -73.7 107.58 6.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.8 mm? -56.77 146.52 25.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.322 0.582 . . . . 0.0 111.617 -176.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -102.01 85.78 2.75 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.592 HG13 HG12 ' A' ' 75' ' ' VAL . 19.2 t -95.04 109.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -114.09 164.94 13.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.08 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 26.8 mtt -82.55 117.32 22.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.808 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.036 0.445 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -88.19 113.97 24.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.238 0.542 . . . . 0.0 111.414 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' THR . 24.0 m-85 -101.21 143.67 31.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.036 176.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.557 ' HB2' HG22 ' A' ' 17' ' ' THR . 4.5 ttmt -119.52 141.63 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.408 . . . . 0.0 111.57 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -105.05 128.92 53.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.283 174.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 15' ' ' GLU . 48.9 mm -109.47 109.73 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.715 HD22 HD21 ' A' ' 12' ' ' LEU . 5.5 mp -87.86 100.47 12.9 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.743 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -86.35 34.88 0.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.529 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.468 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -69.02 -29.9 72.27 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.072 -171.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm 69.52 -40.34 0.45 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.309 0.643 . . . . 0.0 111.37 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -61.07 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.715 HD21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -147.89 161.5 41.17 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.145 -1.389 . . . . 0.0 108.767 172.356 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -152.87 127.18 9.21 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.99 161.05 28.62 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.791 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 51.2 mt-10 -120.85 125.77 48.36 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -142.66 157.57 44.55 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 4' ' ' LYS . 50.8 p -133.24 153.21 51.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.338 0.589 . . . . 0.0 111.765 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -140.79 140.83 34.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.827 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.36 85.72 7.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.708 0.766 . . . . 0.0 109.402 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.57 148.59 23.63 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.134 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.99 -22.5 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.171 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -148.07 155.7 41.77 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.427 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.26 85.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.297 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.15 -26.52 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.621 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 m -72.61 -45.72 57.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.489 0.661 . . . . 0.0 109.885 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.88 86.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.581 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 pt-20 -60.76 -35.27 75.97 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.096 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.27 -36.44 77.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.169 0.509 . . . . 0.0 110.936 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.76 -40.99 40.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.199 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.4 m-30 -67.41 -32.65 73.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.6 mttt -68.23 -28.15 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.222 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.88 -46.54 74.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.414 ' HD2' HD21 ' A' ' 7' ' ' LEU . 17.8 t80 -62.74 -43.17 99.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.27 96.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.212 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -71.78 -33.18 68.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.795 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.7 -34.88 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.694 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 27.6 m-80 -90.23 -23.8 21.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.267 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.78 25.8 19.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.492 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.593 HG11 HD23 ' A' ' 7' ' ' LEU . 3.1 p -97.82 115.83 38.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.363 0.602 . . . . 0.0 110.93 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.33 79.33 1.24 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.82 -176.54 23.01 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.69 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -86.26 130.31 34.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.46 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 62.3 m95 -81.95 119.24 23.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.422 0.63 . . . . 0.0 111.694 -175.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 p -122.6 149.61 43.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.976 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -134.97 135.22 41.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.48 133.57 48.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.96 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.98 -8.36 57.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.65 -59.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.232 -0.293 . . . . 0.0 110.999 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.465 HG23 ' OG1' ' A' ' 51' ' ' THR . 3.8 t -85.1 -5.59 59.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.15 46.47 8.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.41 0.624 . . . . 0.0 109.95 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.3 p -113.25 144.79 42.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.633 -175.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.12 145.11 31.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.11 172.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 m -137.77 130.85 30.38 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.939 0.399 . . . . 0.0 110.58 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.1 105.55 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.348 0.594 . . . . 0.0 109.494 174.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 m -84.06 104.89 14.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.598 -175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.65 HG21 ' HA ' ' A' ' 122' ' ' LYS . 2.3 m . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -80.89 136.93 36.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.109 -173.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.939 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.4 mm? -104.57 145.2 30.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.999 174.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 2.9 tppp? -106.3 109.45 21.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.666 175.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.462 HG23 HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -101.65 133.7 44.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.448 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -137.42 171.63 14.18 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.313 -0.242 . . . . 0.0 110.505 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER 64.12 29.28 14.12 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.928 0.767 . . . . 0.0 109.142 -172.643 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD13 HG23 ' A' ' 75' ' ' VAL . 9.6 tp -64.26 145.42 56.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.311 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.9 p -90.37 166.2 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -56.83 -44.92 82.54 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.302 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HD3' ' CG ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -88.88 15.1 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.284 -172.58 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.522 HG23 HG21 ' A' ' 86' ' ' THR . 96.5 m -73.68 122.72 22.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.719 0.295 . . . . 0.0 110.531 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.773 ' O ' ' HB ' ' A' ' 86' ' ' THR . 59.3 p -111.86 165.02 13.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 83' ' ' SER . 11.1 Cg_endo -55.86 -36.35 95.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.143 1.895 . . . . 0.0 111.27 174.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.97 -37.16 83.74 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.249 175.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.773 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -51.0 -57.39 8.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.646 178.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.585 HD22 ' HE1' ' A' ' 91' ' ' PHE . 36.0 mt -76.95 -38.54 53.13 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.027 -175.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -55.65 -50.81 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.084 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 86' ' ' THR . 1.8 t -75.22 -53.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.839 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.585 ' HE1' HD22 ' A' ' 87' ' ' LEU . 54.3 m-85 -63.55 -39.47 94.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -62.18 -14.67 39.94 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.409 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HB2' ' NZ ' ' A' ' 93' ' ' LYS . 4.7 ttmp? -79.58 -28.27 41.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.146 0.498 . . . . 0.0 110.711 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -84.62 -32.65 23.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.46 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -166.28 179.91 40.05 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' C ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -80.32 98.33 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.153 0.477 . . . . 0.0 110.264 -178.436 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 92' ' ' GLU . 7.7 p -91.69 130.39 40.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.535 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.52 -45.9 12.94 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -164.58 158.6 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.4 m -117.88 133.92 63.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.88 0.371 . . . . 0.0 110.086 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -113.75 99.14 7.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.16 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.465 HG12 ' HB1' ' A' ' 115' ' ' ALA . 24.7 mt . . . . . 0 C--N 1.323 -0.572 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.0 p90 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.465 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -141.36 159.51 42.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.88 175.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -118.82 148.58 42.71 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.162 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.939 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.0 m -130.25 132.05 65.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.873 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -97.5 110.83 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.227 -174.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 25.4 m-85 -103.09 158.14 16.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.738 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -58.01 -54.25 49.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.285 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.908 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 16.4 t70 -140.61 173.25 11.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.65 ' HA ' HG21 ' A' ' 71' ' ' THR . 76.0 tttt -63.5 -27.9 69.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.908 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.1 ptt180 -51.14 -43.62 61.24 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.553 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.555 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 9.9 m-20 -79.38 -32.98 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.022 -176.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -75.74 -33.6 60.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.723 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.54 ' O ' ' HE3' ' A' ' 129' ' ' MET . 50.7 mt-10 -63.77 -52.27 61.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.829 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.25 -25.75 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.895 0.378 . . . . 0.0 110.668 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 91' ' ' PHE . . . -79.0 -53.05 7.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.62 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.617 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.25 -39.4 92.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.398 -175.41 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.59 -36.53 84.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.33 0.586 . . . . 0.0 110.055 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.72 -49.35 26.05 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.766 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.604 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 93.4 mmm -84.04 -17.16 41.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.757 -168.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.58 89.82 0.73 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.783 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 110.62 22.29 6.44 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.652 -171.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.636 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.57 135.22 46.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 122.122 0.169 . . . . 0.0 110.884 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 5.5 t -96.01 109.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.013 -176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.636 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.17 -13.53 46.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 110.124 177.442 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.495 ' N ' HD13 ' A' ' 137' ' ' LEU . 16.1 t70 -160.49 -76.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.053 -176.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.88 15.26 2.85 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -133.77 129.7 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.783 -0.708 . . . . 0.0 110.101 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.783 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 23.4 mp0 -79.93 105.5 11.26 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.1 mm? -54.25 142.99 24.32 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.574 0.546 . . . . 0.0 111.398 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -93.78 80.79 4.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.343 174.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 132' ' ' MET . 41.9 t -91.6 109.51 21.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.111 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -118.83 166.06 13.27 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.73 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 17.0 mmt -69.5 116.95 10.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.048 0.451 . . . . 0.0 109.969 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.533 0.682 . . . . 0.0 109.186 176.276 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 96.2 mmm . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.084 0.469 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -96.08 105.18 17.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.384 -176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' THR . 25.5 m-85 -94.58 139.56 31.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.321 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.676 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 13.9 tppt? -110.25 129.67 55.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -176.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 30' ' ' PHE . 39.1 tp -100.53 124.48 46.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 176.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.6 mm -104.01 104.0 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.609 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.788 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 3.8 mt -87.5 118.69 27.14 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.502 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.59 36.18 4.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.749 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -75.46 -177.59 41.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.099 -170.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -59.67 -48.65 80.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.013 0.435 . . . . 0.0 110.124 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -107.02 -65.04 1.13 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.097 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 tp -69.36 116.28 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.145 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 32.9 mtmm -128.76 97.06 4.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.153 174.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.788 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.86 169.26 29.34 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.239 -173.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.676 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 2.2 mp0 -129.47 106.33 8.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.44 ' O ' ' HD3' ' A' ' 4' ' ' LYS . 14.5 t -125.79 173.23 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.873 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 21.2 p -131.45 172.17 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.458 . . . . 0.0 111.646 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -159.24 145.4 16.48 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.872 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -79.29 102.89 8.86 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.7 37.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 -175.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -69.08 -26.44 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.449 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -138.36 153.55 48.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.359 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -36.46 73.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.352 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.25 -36.11 78.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 110.144 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.8 m -64.73 -40.33 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.068 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.63 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.2 pt-20 -64.16 -31.38 72.56 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.939 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -60.98 -44.93 96.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.843 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.22 -44.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.38 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.573 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.9 m-30 -63.25 -36.35 83.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.033 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -65.01 -44.32 89.59 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.569 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -68.47 -44.94 73.74 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.22 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.5 -44.21 96.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.723 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -65.46 -53.5 41.88 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.558 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -66.62 -30.21 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.712 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.65 -36.05 78.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.985 0.422 . . . . 0.0 110.67 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -84.71 -44.73 13.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.79 38.87 0.17 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 119.901 -1.143 . . . . 0.0 113.635 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.723 HG13 ' HB1' ' A' ' 34' ' ' ALA . 2.8 p -129.76 110.28 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.471 0.653 . . . . 0.0 111.67 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.97 79.26 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.81 -171.62 17.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.108 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 9.8 tp10 -72.94 116.25 13.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.865 0.466 . . . . 0.0 110.155 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -84.95 108.33 17.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -112.93 115.5 28.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.887 0.375 . . . . 0.0 110.135 173.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 50.7 t80 -107.08 134.85 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.055 0.455 . . . . 0.0 111.585 -176.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -107.29 120.63 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.063 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 4.7 p-10 -79.59 -17.39 53.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.79 -42.68 33.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.638 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -96.21 -9.18 31.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.394 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 60.1 42.91 14.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.672 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 4' ' ' LYS . 35.4 p -109.95 123.45 49.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.589 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -97.94 111.96 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.502 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 47.8 m -100.29 114.49 28.01 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.9 104.78 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.932 0.872 . . . . 0.0 109.295 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 7.2 m -89.64 117.53 28.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.719 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.749 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 6.4 tp10 . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.446 -0.66 0 CA-C-O 121.113 0.483 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 m -99.51 161.71 13.46 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.892 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.068 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -112.74 142.47 45.33 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 2.3 tmtp? -118.2 104.33 10.69 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -97.9 126.49 50.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -124.47 175.69 6.97 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 5.0 m-20 62.93 19.11 11.37 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -172.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 HG21 ' A' ' 82' ' ' THR . 32.4 tp -71.76 145.27 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.489 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.5 p -86.29 155.36 20.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.139 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -83.14 -7.91 59.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.246 0.546 . . . . 0.0 110.18 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -87.15 11.84 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.42 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 HD11 ' A' ' 78' ' ' LEU . 36.4 m -96.09 121.25 37.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.547 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.683 ' O ' ' HB ' ' A' ' 86' ' ' THR . 4.2 m -100.56 154.35 37.23 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.831 ' HA ' HD12 ' A' ' 102' ' ' ILE . 88.8 Cg_exo -44.35 -52.23 6.05 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.508 2.805 . . . . 0.0 114.587 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.576 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 41.1 m-20 -60.41 -24.74 65.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.814 0.34 . . . . 0.0 111.384 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.683 ' HB ' ' O ' ' A' ' 83' ' ' SER . 7.9 m -58.48 -57.08 14.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.234 176.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 102' ' ' ILE . 21.0 mt -70.86 -31.47 68.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.508 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HD2' ' HA ' ' A' ' 85' ' ' ASP . 77.2 mtt180 -52.95 -55.07 26.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.75 -40.98 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.813 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 86' ' ' THR . 2.7 t -75.14 -47.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.841 0.353 . . . . 0.0 111.381 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 31.8 m-85 -70.86 -36.16 72.7 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -16.45 50.66 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.09 -35.48 64.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -84.93 -26.87 26.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.471 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.725 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -170.57 170.51 43.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.406 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -74.75 98.51 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.15 0.5 . . . . 0.0 110.63 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.1 p -88.78 134.23 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.871 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 -50.91 4.51 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -158.91 160.9 36.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 84' ' ' PRO . 30.6 m -117.86 -6.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 123.033 0.208 . . . . 0.0 111.509 -176.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 21.6 t80 61.31 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 112.521 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 84' ' ' PRO . 21.9 mt . . . . . 0 C--N 1.322 -0.604 0 C-N-CA 124.127 0.971 . . . . 0.0 112.294 -176.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.0 p90 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.558 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -136.87 144.62 43.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 127.6 47.91 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 1.068 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -122.84 147.37 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -169.099 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -108.02 116.57 32.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.595 -175.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 5.8 m-30 -102.97 169.43 8.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.147 174.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -76.82 -66.03 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.615 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.882 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.4 m-20 -124.02 172.63 8.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.709 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 57.7 tttp -61.2 -25.8 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.205 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.882 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 19.4 ptt180 -53.66 -40.61 66.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.378 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.725 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 14.9 m-20 -76.19 -42.75 45.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 -175.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -78.82 -31.31 45.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.132 -170.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.709 ' HG2' ' HG2' ' A' ' 122' ' ' LYS . 50.7 mm-40 -59.34 -44.07 92.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.447 0.641 . . . . 0.0 110.734 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -31.51 67.38 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.996 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.8 -53.37 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.586 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -60.89 -31.19 70.69 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.674 0.274 . . . . 0.0 111.361 -174.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.13 -50.29 13.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.478 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.56 -39.26 64.82 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.505 ' HG3' ' CB ' ' A' ' 135' ' ' ALA . 24.1 ttm -86.25 -7.9 58.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.868 0.366 . . . . 0.0 111.497 -174.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 15.3 t70 -68.19 92.44 0.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 114.65 22.34 5.11 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.212 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.624 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -96.12 110.64 22.87 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 122.31 0.244 . . . . 0.0 111.14 177.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.604 ' HA ' ' HA ' ' A' ' 141' ' ' GLU . 21.8 t -78.85 111.83 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.846 0 CA-C-O 122.75 1.262 . . . . 0.0 110.8 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.767 ' HB2' HD21 ' A' ' 142' ' ' LEU . 1.6 tm? -76.15 -35.73 59.08 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 112.514 -2.13 . . . . 0.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.421 ' HB2' HD13 ' A' ' 137' ' ' LEU . 29.7 t70 -158.2 -62.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.817 -177.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.38 8.28 3.45 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 11.4 tpp180 -140.0 135.36 32.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.475 -0.862 . . . . 0.0 109.891 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.3 pm0 -85.14 122.18 28.97 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 137' ' ' LEU . 1.2 mm? -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.5 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.446 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 16.0 tpp180 -89.84 79.46 6.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 172.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.488 HG21 ' HG2' ' A' ' 132' ' ' MET . 40.3 t -85.92 119.74 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.369 0.604 . . . . 0.0 110.774 -175.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -118.22 169.26 9.85 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.713 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 42.0 ttm -89.08 116.9 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.048 172.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.275 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mtp . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 18' ' ' THR . 54.3 tt0 -80.84 121.56 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -175.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -112.09 134.69 53.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.092 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.729 ' HE3' HG23 ' A' ' 17' ' ' THR . 1.5 tpmt? -102.53 126.28 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.606 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 52' ' ' PHE . 61.6 tp -103.05 122.96 45.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.081 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.8 mm -111.77 107.74 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD22 HD21 ' A' ' 12' ' ' LEU . 5.2 mp -87.45 99.25 11.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.161 0.505 . . . . 0.0 110.095 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.636 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 12.4 t-20 -88.46 41.06 0.99 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.714 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -73.44 157.79 52.17 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.294 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -89.82 -23.08 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 171.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -77.53 -51.09 11.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.88 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.859 HD21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.18 161.83 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.655 177.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 4.7 ttmp? -150.09 101.91 3.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 110.459 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 -176.26 22.93 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.778 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -110.88 161.32 15.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.978 0.418 . . . . 0.0 110.734 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 5' ' ' LEU . 9.2 t -167.11 143.13 4.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.249 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.729 HG23 ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -132.56 164.09 27.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -177.318 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 13.4 t -153.43 141.11 19.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.59 79.58 9.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -89.68 144.03 26.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.698 -171.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.6 m -79.76 -31.22 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.073 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -137.47 149.3 46.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.112 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.87 87.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.57 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -73.02 -27.45 61.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.171 0.51 . . . . 0.0 109.944 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 79.3 m -69.8 -45.17 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.787 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -61.65 -50.77 71.17 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.361 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.74 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 11.1 pt-20 -62.33 -30.66 71.32 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.188 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.1 -35.54 80.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.289 0.566 . . . . 0.0 110.667 -178.842 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 25' ' ' THR . 25.6 t -75.61 -33.47 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.583 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.52 -33.22 74.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.791 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.74 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptp? -58.05 -43.78 87.06 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.27 172.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.48 -45.57 92.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.514 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.425 ' HD2' HD21 ' A' ' 7' ' ' LEU . 15.5 t80 -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -64.88 -40.22 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -69.06 -36.9 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.203 0.525 . . . . 0.0 110.684 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.747 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 22.8 m-80 -82.99 -19.81 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.194 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.63 38.07 9.98 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.044 -0.598 . . . . 0.0 113.405 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG11 HD23 ' A' ' 7' ' ' LEU . 6.3 p -108.88 134.91 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.076 0.465 . . . . 0.0 110.643 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -132.65 107.45 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.44 -177.37 20.15 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.425 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.66 109.85 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.505 ' CZ2' ' HD2' ' A' ' 31' ' ' LYS . 63.4 m95 -70.12 99.51 1.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.263 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.17 109.63 19.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.257 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.596 ' HA ' ' O ' ' A' ' 51' ' ' THR . 45.7 t80 -106.92 121.64 44.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.95 0.405 . . . . 0.0 110.704 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD2' HG22 ' A' ' 49' ' ' THR . 25.2 t70 -105.1 115.7 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.21 -32.12 73.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.27 -173.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.97 85.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.783 0.325 . . . . 0.0 111.642 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.48 HG22 ' OD2' ' A' ' 46' ' ' ASP . 4.0 t -106.25 -1.96 22.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.159 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm 60.36 37.17 20.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.596 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 40.5 p -103.38 123.69 47.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.062 0.458 . . . . 0.0 112.155 -175.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' HD12 ' A' ' 5' ' ' LEU . 67.4 m-85 -94.38 111.97 23.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 166.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 m -113.87 122.61 47.56 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -97.53 103.54 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 174.267 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.636 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.2 m -87.07 96.52 10.32 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.676 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 41.9 tt0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.081 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.448 -0.554 0 CA-C-O 121.276 0.56 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -96.29 149.28 21.86 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.856 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.981 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -111.64 141.47 45.2 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.942 0.401 . . . . 0.0 110.943 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -104.97 104.78 14.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -93.88 126.13 46.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.275 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -112.91 158.35 20.32 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.513 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 89.2 m-20 61.96 75.88 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.748 0.655 . . . . 0.0 110.17 -177.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.59 ' CD2' HD21 ' A' ' 137' ' ' LEU . 1.3 mt -100.31 -172.73 2.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.997 0.903 . . . . 0.0 111.945 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.436 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.8 p -119.88 160.14 23.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.729 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -72.63 -3.05 22.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 0.0 111.985 -171.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 34.34 5.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.142 0.496 . . . . 0.0 111.281 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.471 ' OG1' HD22 ' A' ' 78' ' ' LEU . 27.3 m -109.37 100.09 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.172 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.643 ' O ' ' HB ' ' A' ' 86' ' ' THR . 14.8 m -95.75 160.25 30.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.692 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.2 Cg_endo -43.65 -48.16 8.98 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.324 2.683 . . . . 0.0 114.034 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.39 -21.67 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.55 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.9 m -64.33 -58.07 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 177.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 102' ' ' ILE . 16.2 mt -71.4 -28.25 63.88 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.588 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.559 ' HB2' HG21 ' A' ' 100' ' ' VAL . 18.3 ttt180 -56.95 -42.04 79.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.66 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 30.2 ttp180 -75.16 -39.23 60.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.348 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 86' ' ' THR . 20.4 t -73.72 -45.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.808 -175.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.659 ' HE1' HD22 ' A' ' 87' ' ' LEU . 33.6 m-85 -74.44 -27.34 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -174.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.0 pt-20 -65.01 -13.75 58.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 111.008 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -62.46 -48.49 79.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.832 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -83.78 -38.93 20.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.786 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.521 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -149.38 171.91 29.48 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.794 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -80.83 97.77 7.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.354 0.597 . . . . 0.0 111.134 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.627 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 2.5 p -85.37 120.31 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.797 174.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.05 -28.7 30.39 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' HB3' ' HE ' ' A' ' 118' ' ' ARG . 33.0 t70 -159.83 160.69 34.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 88' ' ' ARG . 7.7 m -137.75 154.62 29.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.955 0.407 . . . . 0.0 110.517 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.461 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 65.7 t80 -137.93 89.33 2.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.75 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.88 HG12 ' HB1' ' A' ' 115' ' ' ALA . 56.5 mt . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 48.1 p90 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.616 0.246 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.88 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.29 159.09 44.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.002 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 97.3 m-85 -123.99 141.67 51.84 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.949 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.981 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.4 m -130.18 139.39 51.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HE ' ' HB3' ' A' ' 99' ' ' ASP . 15.1 ttp180 -122.64 109.94 14.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 111.587 -171.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.666 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 74.9 m-85 -93.01 169.78 10.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.265 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -65.68 -60.79 2.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.782 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.6 t70 -127.38 167.31 16.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.874 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -60.44 -24.81 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.644 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.782 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.4 ptp180 -56.54 -37.96 71.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.207 176.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.0 m-20 -79.51 -32.32 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.243 0.544 . . . . 0.0 110.023 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.411 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -75.96 -38.09 57.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.531 -173.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.512 ' O ' ' HE3' ' A' ' 129' ' ' MET . 40.5 mt-10 -64.84 -43.23 93.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 0.0 111.044 -177.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.82 -28.6 69.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.963 0.411 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.59 6.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.238 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.57 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -61.9 -34.79 76.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.706 -172.765 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.31 -40.68 50.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.397 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.918 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.665 ' HB3' HG21 ' A' ' 144' ' ' VAL . 27.6 tpp -82.3 -16.85 47.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -174.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -72.2 96.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 170.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.614 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 103.15 21.36 10.11 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -170.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.664 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.28 135.52 51.7 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 122.493 0.317 . . . . 0.0 110.55 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.711 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 22.8 t -95.82 116.6 37.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.203 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.734 ' HG ' HD21 ' A' ' 142' ' ' LEU . 0.2 OUTLIER -93.07 -5.33 50.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.551 177.334 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -169.5 -73.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.77 -174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.06 38.19 0.85 Allowed Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.711 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 10.3 tpp180 -159.7 136.06 8.98 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.784 -0.708 . . . . 0.0 109.872 -176.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 2.0 mp0 -82.93 112.23 19.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.734 HD21 ' HG ' ' A' ' 137' ' ' LEU . 1.8 mm? -56.57 145.22 28.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -103.54 83.03 2.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 171.594 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.665 HG21 ' HB3' ' A' ' 132' ' ' MET . 25.1 t -90.0 113.42 26.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.076 -173.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -108.66 158.27 17.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.071 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.3 tpp -77.94 121.39 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.509 . . . . 0.0 110.873 -177.409 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.437 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 83.7 mtp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -91.86 102.07 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.343 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 17' ' ' THR . 51.5 m-85 -96.81 134.1 40.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.338 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.868 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 2.9 tppp? -107.59 126.41 52.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 54.3 tp -98.82 122.94 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.162 174.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.577 HD13 ' HB3' ' A' ' 15' ' ' GLU . 49.9 mm -104.14 105.02 17.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.763 HD22 HD12 ' A' ' 12' ' ' LEU . 4.5 mp -89.78 111.16 22.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.427 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 9.0 t-20 -96.91 41.19 1.12 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.827 -177.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 151.07 31.59 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.251 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 9.3 mtmp? -72.71 -29.59 63.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.053 0.454 . . . . 0.0 110.087 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 m -97.0 -42.76 7.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.288 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.763 HD12 HD22 ' A' ' 7' ' ' LEU . 2.5 tm? -121.09 102.62 8.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.076 0.465 . . . . 0.0 110.104 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.5 ttmt -120.57 102.06 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.605 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.67 -174.07 21.36 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.587 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.868 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 1.1 pp20? -146.06 138.19 25.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.01 0.433 . . . . 0.0 110.902 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -150.48 173.2 14.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.183 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 24.2 p -125.73 167.42 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.529 . . . . 0.0 111.948 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.41 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 10.4 t -147.16 137.56 23.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.974 170.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -77.11 92.39 3.77 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.64 137.23 52.34 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.87 -19.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.546 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -146.4 158.92 43.95 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.697 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.013 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.2 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.0 m -60.1 -41.83 93.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.34 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.21 62.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.58 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.78 -29.76 70.95 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.588 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -60.3 -49.81 76.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 0.0 110.909 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.0 -39.18 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.462 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.6 m-30 -63.82 -35.53 80.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.083 176.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -68.98 -37.39 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -63.7 -46.49 85.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.979 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' HD2' HD21 ' A' ' 7' ' ' LEU . 30.9 t80 -62.68 -51.8 65.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 -48.29 81.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.52 -40.83 98.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.249 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.87 -29.68 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.411 . . . . 0.0 110.809 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 23.0 m-80 -84.98 -18.27 35.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.588 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.42 5.49 51.98 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.52 -0.848 . . . . 0.0 113.497 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.98 120.41 50.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.312 0.577 . . . . 0.0 111.229 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -129.74 133.58 47.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.62 -162.02 13.81 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.095 -175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.8 110.52 8.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.208 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -75.57 99.36 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.212 0.53 . . . . 0.0 110.421 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.36 115.14 28.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.956 -176.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -108.39 121.85 45.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.84 115.68 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.92 -29.45 69.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -53.35 34.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.378 . . . . 0.0 111.688 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -91.75 -4.7 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.947 -175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 61.29 39.08 15.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.368 0.604 . . . . 0.0 109.882 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.699 HG22 ' HB3' ' A' ' 4' ' ' LYS . 15.2 p -113.0 127.21 56.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.097 -173.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -93.32 112.07 23.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.6 m -105.77 115.09 29.65 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.2 p -97.97 104.07 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 122.003 0.906 . . . . 0.0 109.356 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.427 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.1 m -86.03 103.43 14.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.932 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.359 0.6 . . . . 0.0 110.894 -176.179 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 125' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.211 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -99.89 149.06 23.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.065 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.997 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -110.47 136.33 49.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.838 0.351 . . . . 0.0 111.212 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.2 tppp? -99.85 115.77 30.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.859 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.16 127.95 57.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -133.77 166.66 22.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.316 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 20.3 m120 65.69 25.51 11.5 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -168.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 82' ' ' THR . 41.0 tp -73.46 148.95 42.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.037 -173.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 p -82.62 163.28 21.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 111.982 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -78.4 -7.99 57.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.645 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 18.92 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 111.441 -176.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 HG22 HD13 ' A' ' 102' ' ' ILE . 61.4 m -80.95 126.16 31.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.015 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.747 ' O ' ' HB ' ' A' ' 86' ' ' THR . 39.8 m -106.39 157.23 35.46 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.687 ' HA ' HD12 ' A' ' 102' ' ' ILE . 53.5 Cg_exo -52.49 -39.63 73.92 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.455 2.103 . . . . 0.0 112.527 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 -38.07 77.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.349 0.595 . . . . 0.0 110.063 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.0 m -54.3 -57.34 11.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.249 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 91' ' ' PHE . 23.6 mt -73.68 -41.23 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.542 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -54.43 -46.98 73.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -54.36 -46.44 73.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 86' ' ' THR . 3.1 t -74.49 -51.5 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.557 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.599 ' HE2' HD22 ' A' ' 87' ' ' LEU . 46.1 m-85 -65.08 -32.87 74.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.7 pt-20 -66.52 -9.95 39.91 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.662 0.267 . . . . 0.0 111.689 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -67.84 -46.86 70.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.505 ' HE2' ' SD ' ' A' ' 132' ' ' MET . 17.3 m-85 -84.23 -45.29 13.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.986 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -140.48 173.31 23.14 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.512 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -85.03 100.38 11.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.136 0.493 . . . . 0.0 110.416 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.73 126.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.341 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.6 -50.33 3.17 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.672 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -141.85 126.39 17.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.629 0.252 . . . . 0.0 110.845 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.03 143.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.58 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -127.01 104.25 7.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.851 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 84' ' ' PRO . 59.4 mt . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.905 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.467 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -147.11 165.35 30.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -124.97 142.15 51.67 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.445 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 73' ' ' LEU . 8.8 m -132.03 131.22 61.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.997 176.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.75 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 29.6 m-85 -105.77 168.27 9.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.29 0.567 . . . . 0.0 112.058 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.405 ' HB3' ' OD1' ' A' ' 124' ' ' ASP . 33.0 t-80 -61.23 -68.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.173 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.56 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 30.2 t70 -128.27 174.15 9.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.588 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.501 ' HA ' HG21 ' A' ' 71' ' ' THR . 48.9 tttm -59.63 -31.3 69.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.56 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 16.5 ptt180 -59.41 -37.86 79.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.975 0.417 . . . . 0.0 110.506 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.7 m-20 -73.16 -36.38 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 109.743 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 71' ' ' THR . . . -70.85 -38.66 73.19 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.844 -177.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.617 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 43.9 mt-10 -69.16 -43.75 73.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.443 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -39.13 67.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.701 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.9 -52.37 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.01 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.997 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -63.94 -30.4 71.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.28 -173.847 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.16 -43.27 43.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.437 . . . . 0.0 110.147 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.59 -56.4 4.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.618 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.581 ' HB3' HG21 ' A' ' 144' ' ' VAL . 81.4 mmm -71.99 -12.22 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.044 -165.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.29 85.23 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.592 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 117.4 27.74 2.54 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.821 -170.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -110.08 125.67 53.21 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 122.15 0.18 . . . . 0.0 111.212 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.0 t -88.3 112.91 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.987 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.601 ' HB3' HD21 ' A' ' 142' ' ' LEU . 1.0 OUTLIER -93.99 -8.89 38.66 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.132 0.491 . . . . 0.0 110.787 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -160.81 -76.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.004 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.71 2.71 2.5 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.643 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 17.2 tpp180 -125.32 134.76 52.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.736 -0.732 . . . . 0.0 110.326 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -86.04 109.71 19.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -58.88 151.52 21.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.098 -171.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.77 93.44 5.81 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.786 HG12 HD12 ' A' ' 73' ' ' LEU . 48.5 t -103.43 127.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.009 -170.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.472 ' O ' HD13 ' A' ' 73' ' ' LEU . 94.8 mt-30 -130.11 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.694 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.6 ttm -71.55 116.8 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 120.939 0.4 . . . . 0.0 111.342 -172.448 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.794 0.33 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -131.9 130.82 42.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.028 0.442 . . . . 0.0 110.213 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -112.45 150.41 31.23 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.796 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.034 ' HG2' HG22 ' A' ' 17' ' ' THR . 36.4 mtpt -115.05 161.04 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.046 0.45 . . . . 0.0 111.417 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -120.79 118.24 29.49 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.805 172.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.2 mm -98.42 107.18 19.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.957 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.2 103.0 15.72 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 76.9 m-20 -97.6 39.54 1.2 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.527 175.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.619 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -91.62 160.0 26.29 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.412 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 19.6 pttm -73.83 -29.44 62.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.468 176.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.5 p -86.39 -35.55 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.247 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.957 HD12 HD22 ' A' ' 7' ' ' LEU . 2.6 tm? -142.88 123.99 14.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.269 -177.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.2 tmtm? -123.0 97.1 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.66 -174.53 21.79 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.904 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.15 157.45 43.11 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 9.0 t -167.35 164.44 15.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 175.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.034 HG22 ' HG2' ' A' ' 4' ' ' LYS . 70.8 p -134.47 161.86 33.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -154.49 141.37 19.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.294 170.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.45 84.88 7.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.466 0.651 . . . . 0.0 109.398 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.2 136.88 42.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.665 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.65 -14.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.0 t70 -143.74 150.61 38.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.566 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.85 91.46 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.357 0.41 . . . . 0.0 111.493 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.519 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.87 -31.5 71.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 24.9 m -66.52 -40.55 89.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.762 176.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.58 -49.62 57.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.479 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 12.9 pt-20 -59.09 -37.74 77.84 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.2 -39.12 91.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 111.271 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -71.51 -39.11 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.189 0.519 . . . . 0.0 110.392 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.3 m-30 -67.73 -32.85 73.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.905 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.26 -31.17 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -66.69 -38.57 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.934 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -72.09 -47.02 54.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.253 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.442 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -71.78 -26.21 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.866 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -68.04 -41.23 82.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.46 0.647 . . . . 0.0 109.66 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 42.3 m-80 -88.48 -3.36 58.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.881 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 30.56 62.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.635 -0.711 . . . . 0.0 113.324 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.1 p -110.41 113.49 44.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.384 0.611 . . . . 0.0 111.111 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 2.9 m-20 -117.52 97.14 5.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.89 175.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.38 -165.37 14.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.56 105.99 14.06 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -66.37 98.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -105.1 115.58 30.51 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.793 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -112.28 128.98 56.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.166 0.508 . . . . 0.0 111.052 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.31 116.81 29.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.74 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -75.05 -12.42 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.79 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.56 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -94.6 -2.1 52.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.046 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 58.19 48.37 12.91 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.347 0.594 . . . . 0.0 110.812 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.686 HG22 ' HB2' ' A' ' 4' ' ' LYS . 21.5 p -113.31 119.44 37.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.443 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.7 m-85 -90.24 127.08 36.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.2 m -121.72 128.37 51.71 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 120.555 0.216 . . . . 0.0 110.683 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -97.26 102.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.464 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -86.69 102.34 14.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.298 -0.865 . . . . 0.0 108.977 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.587 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.265 -174.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 121.247 0.546 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -105.28 139.04 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.598 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.881 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -114.53 144.72 42.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.122 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.2 OUTLIER -105.94 116.06 31.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.734 173.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -103.1 119.34 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 173.383 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.92 -177.38 3.82 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.129 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.574 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.0 m120 62.04 24.09 14.3 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -170.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.696 HD11 HG21 ' A' ' 82' ' ' THR . 21.5 tp -61.64 148.27 43.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.688 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.413 ' OG1' HD11 ' A' ' 137' ' ' LEU . 1.0 OUTLIER -73.42 166.79 22.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.615 -179.438 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -96.02 25.47 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.236 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 33.07 0.55 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.696 HG21 HD11 ' A' ' 78' ' ' LEU . 1.3 m -89.98 129.13 36.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -113.77 141.39 26.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.462 0.172 . . . . 0.0 111.284 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HG3' ' HB ' ' A' ' 102' ' ' ILE . 16.5 Cg_exo -64.34 82.28 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.389 2.726 . . . . 0.0 111.89 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -179.22 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.846 HG21 HD23 ' A' ' 137' ' ' LEU . 1.3 m -54.92 -57.0 13.4 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.075 173.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.0 mt -64.16 -39.32 93.75 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.29 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.683 ' HB2' HG21 ' A' ' 100' ' ' VAL . 49.2 ttp180 -54.29 -55.8 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -52.39 -44.53 65.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.13 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 86' ' ' THR . 2.7 t -74.76 -44.06 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.785 0.326 . . . . 0.0 111.858 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.599 ' HE2' HD22 ' A' ' 87' ' ' LEU . 52.5 m-85 -73.51 -37.43 65.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -175.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.5 pt-20 -63.92 -18.96 64.74 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 110.953 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 90' ' ' VAL . 55.8 tttp -63.22 -44.9 93.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.315 175.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -83.98 -31.87 25.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.073 -175.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -161.08 -178.48 35.09 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.103 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 96' ' ' ARG . 20.2 ttt180 -79.83 97.51 6.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 110.691 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.54 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 12.2 p -103.64 139.44 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.828 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.87 -60.29 0.65 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.281 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.42 136.63 47.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.683 HG21 ' HB2' ' A' ' 88' ' ' ARG . 9.7 m -124.15 93.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 122.119 0.961 . . . . 0.0 109.602 171.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -85.28 95.29 9.15 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.654 -173.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.52 HD11 ' HG ' ' A' ' 87' ' ' LEU . 32.8 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.552 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -137.6 157.23 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.508 . . . . 0.0 112.219 -175.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -129.78 150.61 51.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.278 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.881 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.0 m -131.77 144.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.891 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -120.62 116.85 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 0.0 111.145 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.67 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 84.1 m-85 -98.32 170.51 8.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.193 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.85 -47.9 60.89 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.834 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.943 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 9.0 m-20 -134.78 -177.45 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 0.0 110.262 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.601 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 74.9 tttt -67.55 -28.37 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.048 176.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.943 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 6.0 ptm180 -53.25 -43.19 67.16 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 11.7 m-20 -78.81 -27.8 44.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.036 -177.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 73' ' ' LEU . . . -78.35 -37.41 44.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.355 -175.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.607 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.59 -31.76 68.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 110.7 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.464 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -79.93 -53.22 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.801 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.607 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -68.76 -26.75 65.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.675 0.274 . . . . 0.0 111.366 -174.71 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.23 -38.07 56.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.279 0.561 . . . . 0.0 109.888 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.17 -49.76 16.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.754 0.788 . . . . 0.0 112.343 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 134' ' ' GLY . 80.2 mmm -90.07 10.42 24.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.294 -164.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.593 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 3.1 p-10 -79.71 10.91 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.88 0.848 . . . . 0.0 109.952 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 132' ' ' MET . . . -167.28 56.79 0.23 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.126 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.635 ' C ' ' HA ' ' A' ' 141' ' ' GLU . . . -127.76 119.87 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.335 . . . . 0.0 111.443 -173.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 44.0 t -83.19 114.04 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.972 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.846 HD23 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.52 -19.64 30.85 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 -178.844 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 137' ' ' LEU . 13.9 t70 -170.29 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.063 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -131.61 -24.83 0.8 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.735 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.644 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 25.4 tpt180 -121.87 142.55 50.14 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.678 0.275 . . . . 0.0 111.399 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.635 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 1.3 pm0 -77.94 106.93 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.189 165.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -53.29 145.06 14.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.836 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.437 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 26.8 tpt180 -97.76 84.39 3.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 173.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.593 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 54.8 t -90.14 112.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.895 -176.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -119.13 150.04 40.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.476 -0.784 . . . . 0.0 108.935 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.59 ' HA ' HD13 ' A' ' 73' ' ' LEU . 44.8 ttm -64.01 116.88 6.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 111.843 -169.324 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -96.79 121.34 38.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.472 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.2 146.39 43.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.442 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.641 ' HG2' HG22 ' A' ' 51' ' ' THR . 1.2 tpmt? -118.18 123.04 44.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.426 -176.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 30' ' ' PHE . 65.8 tp -96.49 123.31 40.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.8 mm -112.18 108.15 24.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.869 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -88.6 105.02 17.38 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.185 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.516 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.0 t-20 -97.25 44.33 1.05 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -71.73 167.84 52.05 Favored Glycine 0 N--CA 1.437 -1.265 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.11 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -83.32 -19.87 35.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.635 0.731 . . . . 0.0 109.029 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.2 m -120.29 -48.8 2.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.651 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.869 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -100.51 110.48 22.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.155 0.503 . . . . 0.0 110.634 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.5 tttp -120.85 106.87 12.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.474 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.602 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.38 -175.7 21.96 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.092 -1.051 . . . . 0.0 113.053 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -133.48 152.2 51.88 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.53 0.332 . . . . 0.0 110.178 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 5' ' ' LEU . 14.3 t -164.74 153.04 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.11 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.439 ' CG2' ' HE3' ' A' ' 4' ' ' LYS . 20.4 p -126.83 165.64 18.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.508 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -157.62 145.45 18.79 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -85.0 85.17 7.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -102.25 146.29 28.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.99 -174.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -99.18 -31.1 3.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.58 15.65 14.58 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 119.557 -0.857 . . . . 0.0 112.827 -168.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.01 -56.41 0.36 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.073 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.9 -29.54 70.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.413 0.625 . . . . 0.0 109.829 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 m -62.64 -34.92 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.551 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.64 -53.1 14.73 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.117 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.4 pt-20 -59.06 -33.59 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.314 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -61.43 -45.03 96.03 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.78 -36.95 72.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.6 m-30 -64.68 -31.39 72.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.843 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.4 mttm -68.34 -36.72 79.67 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.066 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -64.73 -36.47 84.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.141 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' HD1' HD21 ' A' ' 7' ' ' LEU . 33.8 t80 -68.82 -51.38 41.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.04 -50.86 71.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.698 -177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.65 -38.3 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.435 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.89 -32.87 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 110.404 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.81 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 34.0 m-80 -86.37 -13.07 47.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.002 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.99 14.91 44.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.808 -0.71 . . . . 0.0 114.092 170.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.2 131.52 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.331 0.566 . . . . 0.0 111.983 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -133.09 134.09 43.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.53 -165.61 13.44 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.555 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.24 98.26 2.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -65.09 99.34 0.36 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.45 116.87 32.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.389 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 66.0 t80 -110.27 121.49 45.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.977 0.418 . . . . 0.0 111.051 -177.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -94.0 124.13 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.126 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.3 -17.54 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.147 -174.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.07 -36.37 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.5 p -110.51 -11.01 14.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 63.89 34.27 11.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.073 0.463 . . . . 0.0 110.87 -173.579 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.641 HG22 ' HG2' ' A' ' 4' ' ' LYS . 21.5 p -92.86 118.61 31.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.321 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' HD12 ' A' ' 5' ' ' LEU . 58.5 m-85 -93.72 111.92 23.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 169.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 m -109.44 125.08 52.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.235 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -96.92 103.93 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.863 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.516 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 16.8 m -87.57 110.86 20.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.181 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.69 0.281 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -99.02 140.19 33.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.268 0.556 . . . . 0.0 111.1 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.749 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.8 mm? -108.92 149.35 29.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.932 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -115.06 126.07 54.28 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -111.33 138.37 40.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.745 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -139.55 177.17 8.12 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 50.1 m-80 63.25 27.39 15.49 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -170.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.487 HD11 HG21 ' A' ' 82' ' ' THR . 17.6 tp -71.99 148.16 46.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.36 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 138' ' ' ASP . 4.2 p -79.66 6.68 10.07 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 70.24 -30.93 0.21 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.054 0.541 . . . . 0.0 112.279 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 79' ' ' THR . 14.7 ptm180 -77.37 -21.12 53.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.987 0.423 . . . . 0.0 110.419 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 78' ' ' LEU . 15.7 m -54.0 125.65 19.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.704 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.786 ' O ' ' HB ' ' A' ' 86' ' ' THR . 29.5 m -99.72 155.57 36.33 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.201 177.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.487 ' HA ' HD12 ' A' ' 102' ' ' ILE . 7.8 Cg_endo -50.68 -48.23 21.48 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.878 2.385 . . . . 0.0 113.059 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.24 -20.91 63.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.79 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.786 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -59.76 -56.81 17.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.71 175.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.582 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.6 mt -69.42 -38.35 77.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.938 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.449 ' HB2' HG21 ' A' ' 100' ' ' VAL . 34.2 ttt180 -53.24 -50.22 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.909 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -55.23 -46.59 75.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.119 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 86' ' ' THR . 2.8 t -74.43 -48.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 111.389 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.582 ' HE2' HD22 ' A' ' 87' ' ' LEU . 24.3 m-85 -64.14 -38.54 91.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.191 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.42 -10.69 12.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -73.73 -36.32 65.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.548 176.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.443 ' HE2' ' HE1' ' A' ' 132' ' ' MET . 49.3 m-85 -84.02 -36.63 22.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.113 -174.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.42 -178.4 31.44 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -88.19 95.39 10.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.585 0.692 . . . . 0.0 111.043 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -85.86 139.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.515 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.68 -13.04 7.55 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.053 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -153.79 146.45 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.996 0.398 . . . . 0.0 110.484 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 88' ' ' ARG . 14.3 m -141.5 139.9 31.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.079 0.466 . . . . 0.0 110.646 175.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -133.67 112.8 11.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.55 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.757 HG12 ' HB1' ' A' ' 115' ' ' ALA . 40.2 mt . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.846 0.355 . . . . 0.0 111.403 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.41 ' HE2' ' CE2' ' A' ' 116' ' ' PHE . 28.9 p90 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.757 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -148.74 162.21 40.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.844 0.354 . . . . 0.0 111.331 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.41 ' CE2' ' HE2' ' A' ' 114' ' ' PHE . 57.2 m-85 -124.05 140.22 53.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.088 175.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.3 m -129.79 137.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.217 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -118.75 117.18 28.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.993 0.425 . . . . 0.0 111.554 -172.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.75 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 28.7 m-85 -101.83 168.43 9.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.929 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -62.55 -66.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.722 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.529 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 5.6 m-20 -119.28 -179.21 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.375 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -69.76 -28.3 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.529 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 27.4 ptt85 -57.61 -37.54 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.75 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 22.4 m-20 -75.03 -35.13 61.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.337 0.589 . . . . 0.0 109.974 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.578 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -74.56 -36.82 63.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.099 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.509 ' O ' ' HE3' ' A' ' 129' ' ' MET . 51.4 mm-40 -58.46 -54.3 48.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.28 -36.03 70.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.138 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.444 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.2 -53.13 6.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.428 -172.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.635 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.78 -34.99 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.638 0.256 . . . . 0.0 110.617 -176.28 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.87 -41.95 86.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.198 0.523 . . . . 0.0 110.167 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.92 -46.03 46.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.217 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.662 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 34.1 tpp -80.35 -16.9 53.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.579 -173.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.7 89.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.542 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 110.07 15.84 11.26 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.43 -171.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.671 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -99.3 128.47 45.43 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.1 t -93.02 103.78 15.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.873 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -84.12 -22.62 31.02 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.673 ' N ' HD13 ' A' ' 137' ' ' LEU . 34.1 t70 172.7 98.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.188 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.62 7.87 36.72 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.666 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 13.7 tpp180 -157.34 134.31 10.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.663 0.232 . . . . 0.0 110.916 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.671 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -88.06 115.77 25.77 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.379 0.609 . . . . 0.0 110.111 167.473 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.0 mm? -63.51 153.93 34.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.454 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.516 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 72.3 ttt180 -103.38 110.4 22.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.574 HG21 ' CG ' ' A' ' 132' ' ' MET . 33.6 t -123.77 111.79 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.161 0.505 . . . . 0.0 110.681 -172.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -130.6 177.06 7.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.484 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.7 mmt -69.1 138.69 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.47 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.932 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.101 0.477 . . . . 0.0 111.549 -178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 tpp . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.89 0.376 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -77.65 110.07 12.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.889 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 17' ' ' THR . 32.3 m-85 -106.91 136.21 47.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.865 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.661 ' HB3' HG22 ' A' ' 51' ' ' THR . 30.5 ttmt -108.84 143.08 38.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.904 0.383 . . . . 0.0 111.234 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 64.2 tp -109.0 118.92 38.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.066 173.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 15' ' ' GLU . 47.8 mm -91.26 108.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.443 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.722 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.7 mt -85.84 101.1 12.53 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.48 45.84 1.04 Allowed 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.447 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -86.84 -164.94 40.6 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 114.931 -1.031 . . . . 0.0 113.533 -170.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -73.14 -64.39 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -109.88 16.96 21.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.238 0.542 . . . . 0.0 110.566 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD21 HD13 ' A' ' 7' ' ' LEU . 54.9 tp -137.98 117.35 12.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.789 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 21.3 ttpp -136.66 92.16 2.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.722 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.74 179.88 26.14 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.035 -175.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' A' ' 6' ' ' ILE . 52.5 mt-10 -131.35 139.31 49.49 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -150.92 150.12 30.46 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 4' ' ' LYS . 62.9 p -125.83 156.57 39.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.813 0.34 . . . . 0.0 110.824 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 t -143.68 152.27 41.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.381 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -80.48 90.41 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.242 0.544 . . . . 0.0 110.19 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 135.63 43.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.915 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 m -77.55 -24.08 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.876 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -152.59 158.99 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.18 73.61 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.235 0.334 . . . . 0.0 111.382 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.75 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.6 m -73.93 -41.06 62.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.919 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.04 80.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.244 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.5 pt-20 -60.97 -36.61 79.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.768 -176.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.59 -42.68 99.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.988 0.423 . . . . 0.0 111.016 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.62 -42.01 83.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.271 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.5 m-30 -64.07 -36.12 82.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.229 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.5 mttt -71.54 -35.02 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.207 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.0 -43.5 95.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.082 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -68.88 -45.21 71.56 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.76 94.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.228 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -64.45 -35.78 82.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.78 -42.24 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.987 0.423 . . . . 0.0 110.62 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' CB ' HD22 ' A' ' 12' ' ' LEU . 27.7 m-80 -78.49 -16.16 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.295 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.64 35.72 15.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.958 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' HA3' ' A' ' 9' ' ' GLY . 3.5 p -114.61 110.75 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.594 0.711 . . . . 0.0 110.867 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -120.67 96.6 5.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.192 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.499 ' HA3' ' HB2' ' A' ' 56' ' ' GLU . . . -123.86 -168.83 13.04 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.341 -176.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 36.0 tt0 -66.89 114.12 5.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 58.9 m95 -78.99 106.58 11.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 111.182 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.44 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 12.2 p -115.72 149.6 38.17 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.395 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -136.0 123.8 22.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.0 110.293 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 8.6 m-20 -89.44 117.91 28.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.952 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.09 150.38 48.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.997 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.59 -42.1 0.46 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.932 0.893 . . . . 0.0 112.224 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 p -85.54 -15.28 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.602 0.239 . . . . 0.0 111.384 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.84 31.86 11.3 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.416 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 4' ' ' LYS . 25.4 p -107.98 123.87 49.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -94.1 146.44 23.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.44 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 70.9 m -137.11 125.98 24.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.565 0.221 . . . . 0.0 110.785 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.05 104.77 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.174 0.512 . . . . 0.0 110.123 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 41.1 m -88.78 101.37 13.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB2' ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.593 ' HB ' ' HB2' ' A' ' 125' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 121.495 0.664 . . . . 0.0 112.157 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -103.26 135.61 44.57 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.44 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.934 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -100.28 144.41 29.33 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.434 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 1.0 OUTLIER -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 176.664 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 0.7 OUTLIER -104.36 131.14 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.83 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.91 175.01 9.96 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 18.3 m-80 60.45 26.1 15.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 109.276 -168.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 HG21 ' A' ' 82' ' ' THR . 24.2 tp -69.49 149.05 48.69 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.971 -172.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 33.6 p -88.96 147.62 24.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.42 30.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -173.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -135.31 16.67 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 109.914 173.766 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.557 HG21 HD11 ' A' ' 78' ' ' LEU . 34.1 m -86.68 110.5 19.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.289 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.734 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.3 p -86.2 154.43 57.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.706 ' HA ' HD12 ' A' ' 102' ' ' ILE . 6.3 Cg_endo -51.35 -43.84 46.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.868 2.379 . . . . 0.0 112.812 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.31 -28.94 68.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.49 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.734 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -54.86 -57.33 12.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.23 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 ' HE1' ' A' ' 91' ' ' PHE . 14.2 mt -69.58 -31.81 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -176.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -55.23 -55.04 35.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.164 174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.83 -41.29 97.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.123 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 86' ' ' THR . 5.2 t -73.97 -49.06 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.755 -176.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 28.8 m-85 -70.79 -31.3 68.02 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.6 -5.84 13.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.315 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.41 -47.33 86.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.114 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.403 ' HB3' ' OD2' ' A' ' 127' ' ' ASP . 79.4 m-85 -84.57 -53.27 5.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.13 -174.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.24 -174.17 13.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 0.0 112.33 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -89.17 95.35 10.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.403 0.62 . . . . 0.0 110.948 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.6 p -88.37 126.32 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.126 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.65 -45.29 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.012 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -159.18 174.26 15.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.56 171.37 17.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.271 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.668 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 31.3 t80 -131.61 82.01 2.01 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.322 0.582 . . . . 0.0 110.224 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 84' ' ' PRO . 21.4 mt . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 40.9 p90 . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 120.797 0.332 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.617 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -152.85 162.76 40.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.688 175.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.668 ' HB2' ' HB3' ' A' ' 101' ' ' TYR . 92.2 m-85 -130.28 155.33 46.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.934 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.9 m -134.93 139.92 46.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 118' ' ' ARG . 24.6 ttt180 -111.47 110.32 20.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.76 0.314 . . . . 0.0 111.757 -172.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.797 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 34.3 m-85 -103.12 164.2 11.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -67.81 -69.42 0.32 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.583 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.601 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 15.1 t70 -115.21 167.96 10.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.975 -174.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.752 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 60.8 tttp -56.28 -32.07 64.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.601 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 6.7 ptm180 -54.15 -42.47 69.61 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.198 0.523 . . . . 0.0 111.239 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.797 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 18.9 m-20 -79.61 -36.04 38.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.377 0.608 . . . . 0.0 109.978 -175.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.593 ' HB2' ' HB ' ' A' ' 71' ' ' THR . . . -74.26 -40.16 62.52 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.896 -175.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.752 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 1.7 mm-40 -76.37 -36.16 58.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.448 -175.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 94' ' ' TYR . 2.3 t70 -59.4 -39.36 83.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.771 0.796 . . . . 0.0 109.312 176.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.28 9.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.353 -1.294 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.728 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.76 -42.5 84.16 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 111.013 -177.269 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.511 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 26.6 t70 -66.28 -42.62 88.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.18 62.16 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.238 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.591 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 26.0 tpp -86.28 -14.8 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.278 -174.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.19 87.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 171.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.67 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 114.96 26.43 3.55 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.186 -170.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.97 134.95 53.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.402 0.281 . . . . 0.0 110.954 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 16.0 t -97.99 105.72 17.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.111 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.572 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -87.82 -8.46 55.89 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.221 179.078 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.495 ' N ' HD13 ' A' ' 137' ' ' LEU . 3.6 t70 -159.58 -76.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.17 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.41 24.89 1.86 Allowed Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.597 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 12.5 tpp180 -147.05 130.93 17.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.844 -0.678 . . . . 0.0 110.084 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.673 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -76.67 106.32 8.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 167.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.6 mm? -56.47 146.89 23.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 74.5 ttt180 -95.94 107.78 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 32.6 t -118.15 113.1 41.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.449 0.642 . . . . 0.0 110.63 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.37 170.51 13.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.19 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.2 tpp -72.46 118.83 15.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-O 121.369 0.604 . . . . 0.0 110.964 -176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.658 0.266 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.25 109.76 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' THR . 5.4 m-85 -99.31 131.53 45.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.622 -177.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HB3' HG22 ' A' ' 51' ' ' THR . 17.1 ttmt -105.48 134.28 48.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.186 0.517 . . . . 0.0 111.557 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 30' ' ' PHE . 62.1 tp -102.43 123.92 47.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.028 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.459 HD13 ' HG3' ' A' ' 15' ' ' GLU . 46.0 mm -102.95 106.69 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.547 174.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.651 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.0 mp -90.85 104.46 17.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.008 0.433 . . . . 0.0 109.926 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.636 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.4 t-20 -94.84 43.13 1.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.103 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.808 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -71.97 152.43 48.7 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.719 -175.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -75.63 -28.95 59.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -96.41 -39.34 9.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.287 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.56 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 3.0 tm? -133.8 107.93 8.18 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 111.183 -175.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 47.1 mtmt -93.68 125.08 38.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 168.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.42 164.5 29.03 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.938 -1.125 . . . . 0.0 113.147 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HE2' ' A' ' 4' ' ' LYS . 30.7 tt0 -147.92 122.94 10.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -161.35 166.11 27.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.541 0.21 . . . . 0.0 110.644 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 4' ' ' LYS . 55.1 p -131.25 161.09 33.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.278 0.561 . . . . 0.0 111.755 -176.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -142.24 147.37 36.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.766 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.47 94.69 7.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -99.07 128.76 45.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.386 -172.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.03 -26.44 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.357 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -146.69 155.1 42.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.202 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.01 74.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -69.31 -33.64 73.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.432 . . . . 0.0 110.407 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 m -67.84 -39.4 83.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.778 174.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.46 -52.6 57.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.127 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.82 -34.61 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.264 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -60.44 -46.06 91.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 25' ' ' THR . 32.4 t -71.23 -38.13 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.21 0.529 . . . . 0.0 110.356 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.67 -30.31 71.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.403 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.3 mttt -74.26 -23.92 59.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -70.06 -37.3 75.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 0.0 109.808 174.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.415 ' HD1' HD21 ' A' ' 7' ' ' LEU . 27.5 t80 -73.43 -45.94 51.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.545 176.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.18 -53.49 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.15 -34.45 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.489 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.97 -40.64 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 110.771 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.56 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 42.6 m-80 -87.16 -11.38 50.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.339 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 -6.05 74.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.948 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG23 ' HG3' ' A' ' 56' ' ' GLU . 2.0 p -95.82 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.222 0.534 . . . . 0.0 111.647 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.4 91.86 3.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.9 -151.7 19.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.841 -173.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.53 107.31 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.62 -0.29 . . . . 0.0 110.295 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -78.16 105.55 9.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.743 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 47.6 p -112.34 149.31 32.61 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -132.04 128.32 38.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -89.45 124.09 34.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.556 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -85.68 -8.91 57.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.09 0.472 . . . . 0.0 110.238 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.1 -60.28 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -92.57 -6.45 49.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.265 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.82 39.17 20.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.415 0.626 . . . . 0.0 110.459 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 4' ' ' LYS . 10.6 p -104.84 131.85 51.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.898 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HD1' ' HE2' ' A' ' 30' ' ' PHE . 45.2 m-85 -95.0 145.17 25.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 28.1 m -134.39 126.43 29.56 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.651 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -103.08 103.15 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 170.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.636 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 57.6 m -85.14 96.01 9.32 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.808 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 3.5 tm-20 . . . . . 0 C--N 1.319 -0.739 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 121.266 0.555 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 m -87.73 150.56 23.52 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.351 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.882 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -116.3 141.66 47.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.874 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.33 113.21 25.75 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.687 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.665 HG23 HD11 ' A' ' 78' ' ' LEU . 2.9 m -107.53 123.35 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 172.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -117.39 165.96 12.89 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.787 -170.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 64.31 43.52 4.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.691 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 HG23 ' A' ' 75' ' ' VAL . 7.2 mp -75.71 166.02 24.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 111.623 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 81' ' ' ARG . 29.9 p -94.57 11.37 31.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.177 -171.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 72.43 -37.27 0.38 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.428 0.691 . . . . 0.0 111.784 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 79' ' ' THR . 11.4 ptm180 -71.07 -15.94 62.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.594 ' HB ' HD23 ' A' ' 78' ' ' LEU . 23.8 m -67.3 113.78 5.49 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.205 176.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.578 ' O ' ' HB ' ' A' ' 86' ' ' THR . 35.0 m -93.67 153.38 41.17 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.39 -175.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.12 11.74 0.15 Allowed 'Trans proline' 0 N--CA 1.48 0.705 0 C-N-CA 123.572 2.848 . . . . 0.0 114.77 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.43 -27.3 8.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 168.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.1 m -52.0 -57.1 10.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.277 175.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 102' ' ' ILE . 16.7 mt -66.12 -31.59 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.419 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.539 ' HG2' HG13 ' A' ' 100' ' ' VAL . 49.2 mtm180 -59.45 -53.04 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -56.82 -45.23 82.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.228 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 86' ' ' THR . 2.3 t -74.79 -51.05 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.82 0.343 . . . . 0.0 111.695 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.654 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 31.4 m-85 -67.94 -33.38 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -173.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 9.1 pt-20 -59.88 -18.88 47.91 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.743 0.306 . . . . 0.0 111.776 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -37.95 86.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.242 0.544 . . . . 0.0 110.445 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -85.22 -34.59 21.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.768 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.452 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -162.54 179.45 37.83 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -81.66 97.52 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.486 0.643 . . . . 0.0 110.879 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.6 p -87.37 131.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 175.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.94 -44.58 5.97 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.486 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -162.78 146.17 11.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.539 HG13 ' HG2' ' A' ' 88' ' ' ARG . 5.4 m -123.27 144.99 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -119.88 112.12 18.81 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.733 HD11 ' HG ' ' A' ' 87' ' ' LEU . 37.4 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.941 0.4 . . . . 0.0 110.219 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' HE2' ' HE2' ' A' ' 116' ' ' PHE . 28.6 p90 . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.505 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -160.82 167.25 27.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.205 0.526 . . . . 0.0 111.74 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.445 ' HE2' ' HE2' ' A' ' 114' ' ' PHE . 97.2 m-85 -130.5 145.68 51.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.882 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -126.88 127.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -108.61 109.83 21.14 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.051 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.515 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 39.5 m-85 -94.15 168.77 10.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.542 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -64.69 -49.98 68.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.767 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.751 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.7 t70 -141.16 169.31 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.164 -174.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -61.82 -27.49 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.43 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.751 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.8 ptp180 -56.82 -41.49 77.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.944 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.0 m-20 -79.78 -33.16 40.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.41 0.624 . . . . 0.0 110.133 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.412 ' CB ' HD21 ' A' ' 73' ' ' LEU . . . -72.82 -33.4 66.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.358 -173.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.594 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.77 -54.61 43.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.243 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -61.99 -27.31 68.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.414 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 91' ' ' PHE . . . -80.48 -53.01 6.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.67 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.594 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -66.94 -29.81 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 111.078 -175.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.413 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 18.5 t70 -72.64 -43.79 62.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.491 . . . . 0.0 109.941 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.78 -49.66 24.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.135 -174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.78 ' HB3' HG21 ' A' ' 144' ' ' VAL . 31.1 tpp -79.14 -11.8 59.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.807 -172.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.9 95.75 2.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.583 ' HA2' ' OE1' ' A' ' 141' ' ' GLU . . . 100.63 24.92 8.95 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.352 -171.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.684 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -116.57 131.89 56.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 122.709 0.404 . . . . 0.0 111.2 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.679 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.4 t -86.99 114.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.24 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.46 -18.62 35.31 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.354 178.166 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.535 ' HB2' HD22 ' A' ' 137' ' ' LEU . 9.8 t70 -160.6 -73.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.801 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.18 20.94 3.16 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.679 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.4 tpp180 -146.53 130.75 17.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.832 -0.684 . . . . 0.0 110.191 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.684 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.2 OUTLIER -76.8 120.47 22.0 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 164.625 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -69.03 154.42 42.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.029 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.54 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -106.37 102.65 12.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 171.197 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.78 HG21 ' HB3' ' A' ' 132' ' ' MET . 11.2 t -111.52 113.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.486 . . . . 0.0 111.071 -171.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -129.54 162.71 27.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.125 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.515 ' SD ' ' HG2' ' A' ' 129' ' ' MET . 0.1 OUTLIER -58.68 125.57 23.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 111.044 178.509 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.016 177.514 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.967 0.413 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.583 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 49.1 tt0 -90.07 97.17 11.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.969 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 17' ' ' THR . 18.4 m-85 -84.26 135.53 34.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.792 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.618 ' HB3' HG22 ' A' ' 51' ' ' THR . 3.1 tppp? -91.6 126.45 36.69 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.184 174.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 52' ' ' PHE . 57.6 tp -97.55 121.89 39.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.483 172.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mm -94.39 104.07 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.116 0.484 . . . . 0.0 109.704 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.899 ' HB3' HD13 ' A' ' 12' ' ' LEU . 14.5 mt -83.07 99.46 9.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.298 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.598 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 40.9 t30 -109.09 40.86 1.74 Allowed 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.802 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -83.23 173.58 51.93 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.351 -169.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 18.7 pttm -81.43 -28.49 34.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -41.75 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -136.92 165.36 26.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.976 -176.018 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 81.6 tttt -148.89 94.97 2.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 170.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.654 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.95 -175.6 22.29 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.34 -174.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE ' ' A' ' 4' ' ' LYS . 44.2 mt-10 -130.95 143.06 50.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -152.44 157.53 41.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.764 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 39.9 p -133.12 152.01 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 111.314 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.426 HG22 ' CE1' ' A' ' 30' ' ' PHE . 9.5 t -136.53 139.71 42.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.432 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 96.17 3.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.39 141.01 39.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.319 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -79.03 -23.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.037 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -149.22 157.93 43.76 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.41 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.74 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -75.13 -41.1 59.12 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.758 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.97 87.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.316 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -62.85 -28.93 70.36 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.791 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -67.18 -46.71 73.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.49 -37.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.166 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.8 m-30 -66.34 -35.68 80.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.116 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -68.47 -37.78 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.145 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.5 -48.27 80.31 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.35 -48.35 82.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.31 82.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.44 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -67.76 -36.65 80.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.16 -40.89 82.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.673 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -73.62 -38.19 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.519 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.3 23.55 4.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.48 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 12' ' ' LEU . 2.4 p -105.49 124.26 60.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.1 0.476 . . . . 0.0 110.952 177.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -119.83 85.26 2.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.62 171.52 18.35 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.214 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.52 108.74 3.92 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -68.53 112.19 5.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 p -130.34 119.25 22.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.259 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HE2' ' A' ' 3' ' ' TYR . 60.1 t80 -99.75 130.36 45.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 0.0 110.603 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -108.94 117.29 33.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.66 -32.75 66.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.248 -177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 -47.69 79.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -103.9 -2.29 26.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.751 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 61.28 38.04 16.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.618 HG22 ' HB3' ' A' ' 4' ' ' LYS . 40.7 p -110.77 142.56 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 111.984 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' HD12 ' A' ' 5' ' ' LEU . 44.7 m-85 -103.19 112.98 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -102.63 121.41 42.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.546 0.212 . . . . 0.0 111.04 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.01 103.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.0 109.961 170.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.598 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.6 m -90.91 113.71 25.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.802 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 37.3 tt0 -131.59 98.04 4.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.879 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.69 -39.79 5.47 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.53 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.8 t 57.9 84.47 0.1 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.474 0.654 . . . . 0.0 111.091 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.34 -32.62 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.074 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.9 m80 66.29 -170.98 0.19 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.286 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -146.11 27.85 1.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.156 0.503 . . . . 0.0 110.447 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -95.6 -30.24 13.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.626 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -96.74 105.17 17.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.63 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -173.14 100.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 mmt -126.72 13.83 7.48 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.81 155.64 40.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.967 -1.47 . . . . 0.0 110.216 -176.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 68' ' ' GLU . 47.2 t -126.22 -72.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.395 -177.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' HG2' HG12 ' A' ' 67' ' ' VAL . 45.2 mm-40 -108.29 146.86 32.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.856 0.36 . . . . 0.0 111.424 -173.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.41 -153.95 8.62 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.029 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.428 ' HA ' ' O ' ' A' ' 119' ' ' PHE . 33.8 mtm 53.6 34.79 19.42 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.927 0.491 . . . . 0.0 111.784 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 p -70.04 133.22 46.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.28 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -92.87 148.67 21.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.01 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -110.71 149.76 30.02 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.0 tppp? -111.21 117.0 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.043 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.584 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -106.75 127.32 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -126.88 174.94 8.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.591 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 4.3 m-20 64.29 17.3 10.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -171.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 115' ' ' ALA . 28.8 tp -63.02 133.42 54.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.385 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.466 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 2.2 p -71.54 141.3 50.1 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.422 176.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -74.82 -5.55 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 0.0 111.554 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HG2' ' HB ' ' A' ' 79' ' ' THR . 15.7 ptm180 -88.33 -0.47 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.95 0.405 . . . . 0.0 110.47 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.569 HG21 HD11 ' A' ' 78' ' ' LEU . 13.3 m -76.79 131.56 38.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.823 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.745 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.2 m -102.12 149.77 36.88 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.757 ' HA ' HD12 ' A' ' 102' ' ' ILE . 73.1 Cg_exo -49.08 -46.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.897 2.398 . . . . 0.0 113.019 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.26 -33.72 59.17 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.287 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.745 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.4 m -57.88 -57.13 14.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.002 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 91' ' ' PHE . 32.9 mt -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.577 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.431 ' HB2' HG21 ' A' ' 100' ' ' VAL . 63.9 ttt180 -58.77 -43.67 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.42 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -64.4 -37.81 88.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.217 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 86' ' ' THR . 11.4 t -74.44 -54.71 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 37.7 m-85 -61.6 -32.94 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.429 ' HA ' HG12 ' A' ' 97' ' ' VAL . 10.3 pt-20 -63.55 -13.16 38.7 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.04 -33.02 45.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.195 0.522 . . . . 0.0 110.443 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.38 -32.51 24.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.195 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -164.28 172.36 40.05 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -76.45 98.78 4.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.8 p -90.48 140.78 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.187 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.51 -50.18 3.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.19 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -157.72 165.8 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 88' ' ' ARG . 21.4 m -131.06 143.08 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.141 0.496 . . . . 0.0 110.803 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -121.61 93.79 4.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.997 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 84' ' ' PRO . 35.4 mt -97.73 101.85 11.67 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -62.43 140.66 83.41 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 -173.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -110.51 76.82 1.0 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.132 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.78 118.64 24.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.74 5.04 38.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.97 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -89.33 -40.46 12.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.361 0.601 . . . . 0.0 109.553 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.501 ' HB ' ' HB2' ' A' ' 111' ' ' SER . 15.1 p -119.63 88.89 3.02 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.741 173.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -69.6 -15.79 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.32 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -154.26 86.53 1.16 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.319 0.581 . . . . 0.0 109.926 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.501 ' HB2' ' HB ' ' A' ' 108' ' ' THR . 52.5 m -154.72 -72.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.958 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -104.96 120.87 42.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.889 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -115.33 90.58 0.53 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.588 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -138.97 156.26 47.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.808 0.337 . . . . 0.0 110.799 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . -148.3 160.55 42.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.987 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -121.3 145.3 48.01 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 1.01 HG22 ' HB2' ' A' ' 73' ' ' LEU . 3.0 m -132.18 131.73 61.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -108.58 117.34 33.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.929 0.395 . . . . 0.0 111.111 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.578 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 3.8 m-85 -99.96 168.34 9.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.474 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -56.7 -60.65 3.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.276 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.2 t70 -143.97 169.87 16.99 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 78.3 tttt -58.59 -33.38 69.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 0.2 OUTLIER -54.42 -37.36 65.02 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.915 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.541 ' CB ' ' HD2' ' A' ' 119' ' ' PHE . 10.2 m-20 -79.42 -34.32 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.312 0.577 . . . . 0.0 110.037 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -73.52 -31.71 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.323 -175.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.8 mt-10 -58.75 -49.89 75.96 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.388 0.43 . . . . 0.0 110.584 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -62.45 -37.79 87.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.09 -53.11 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -174.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.584 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -62.14 -38.42 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 -176.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.584 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 24.1 t70 -71.33 -41.83 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.744 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.85 -52.67 12.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.686 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 59.7 mtp -83.79 1.04 44.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.592 -167.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.42 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 18.5 t70 -71.33 86.74 0.82 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 165.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.705 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.03 23.92 4.08 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.496 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -99.58 131.19 45.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.168 0.187 . . . . 0.0 110.5 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.65 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.0 t -95.84 113.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.696 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.635 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -85.44 -15.94 41.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 110.283 178.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.488 ' N ' HD13 ' A' ' 137' ' ' LEU . 19.3 t70 -164.95 -70.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.95 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.0 35.47 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.65 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 2.3 tpm_? -156.48 127.65 6.97 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.184 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.705 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 29.3 mt-10 -78.69 113.18 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 168.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.4 mm? -63.98 144.84 56.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 110.995 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.42 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 18.9 tpp180 -92.01 86.58 5.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 30.5 t -96.18 117.92 41.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -128.12 164.9 21.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 51.6 ttm -79.86 117.63 20.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -103.0 86.58 2.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.254 0.55 . . . . 0.0 110.363 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -92.26 31.48 1.29 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.89 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.421 ' HE2' ' HB3' ' A' ' 152' ' ' PRO . 52.7 p90 -61.37 137.68 58.24 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.626 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -94.7 120.08 6.31 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.34 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 151' ' ' ARG . 28.5 mtp180 67.55 105.17 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.238 0 C-N-CA 122.733 0.413 . . . . 0.0 111.953 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.421 ' HB3' ' HE2' ' A' ' 149' ' ' TYR . 55.8 Cg_endo -74.22 111.68 3.37 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.168 1.912 . . . . 0.0 111.205 171.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.82 -33.61 20.17 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.466 2.11 . . . . 0.0 111.402 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.31 25.26 14.72 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.235 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 50.9 m -85.78 12.88 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.327 0.584 . . . . 0.0 110.936 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -82.81 38.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.065 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -97.84 106.4 18.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.825 -0.607 . . . . 0.0 110.545 -178.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mmm . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -83.03 100.34 10.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.607 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.51 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 27.7 m-85 -93.54 137.47 32.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.901 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 51' ' ' THR . 33.2 ttmt -110.46 138.18 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.202 0.525 . . . . 0.0 111.547 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 30' ' ' PHE . 59.2 tp -99.24 121.69 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.568 174.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.3 mm -95.48 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.412 0.625 . . . . 0.0 109.515 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.677 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 11.1 mt -81.02 118.31 22.38 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.107 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 15.5 t-20 -128.53 58.88 1.55 Allowed 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 177.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.68 -153.51 29.75 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.506 -170.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.663 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.5 -63.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.223 0.535 . . . . 0.0 110.038 -177.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.7 p -114.28 -37.69 4.31 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.45 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.702 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.53 128.95 34.0 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 122.365 1.079 . . . . 0.0 111.128 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.7 mtpm? -150.79 91.4 1.72 Allowed 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.619 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.677 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.56 -174.07 19.92 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.888 -174.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 13.7 mp0 -123.94 146.25 48.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.738 0.304 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -155.94 154.69 31.55 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 4' ' ' LYS . 66.5 p -126.69 165.9 18.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 t -146.25 151.99 38.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.828 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.53 99.53 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.13 134.27 54.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.997 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.93 -19.62 16.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.726 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -158.99 172.12 18.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.944 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -62.67 -46.29 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.034 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.13 -36.58 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 111.115 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -66.1 -42.84 88.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.18 0.514 . . . . 0.0 110.476 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.16 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.661 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.1 pt-20 -60.61 -37.52 81.67 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.085 -174.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.37 -39.11 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 111.365 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -72.87 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.156 0.503 . . . . 0.0 110.121 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.63 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.7 m-30 -65.5 -31.54 72.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.248 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 66.4 mttm -68.56 -33.71 74.57 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.95 177.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -64.0 -44.33 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.91 -52.7 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.906 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.22 -46.66 89.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.535 -177.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.44 -36.88 82.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.92 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.09 -26.98 63.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.541 . . . . 0.0 110.568 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -85.44 -37.59 19.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.09 -0.27 28.41 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.002 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.522 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 1.7 p -86.3 109.86 19.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.357 0.599 . . . . 0.0 111.434 -177.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -110.23 101.58 10.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.39 176.77 16.25 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.398 -0.905 . . . . 0.0 111.83 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.53 107.86 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 73.4 m95 -67.98 103.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.911 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.53 116.19 22.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.314 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' OH ' ' HD3' ' A' ' 50' ' ' LYS . 34.9 t80 -98.78 119.91 38.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -95.1 120.44 35.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 25.7 t0 -76.75 167.18 22.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.323 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 47' ' ' ASP . . . 76.96 -43.0 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.035 0.934 . . . . 0.0 111.147 -176.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.7 p -89.67 -16.62 30.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.72 0.295 . . . . 0.0 110.568 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.2 mmtt 60.37 42.69 14.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 4' ' ' LYS . 27.5 p -113.54 124.39 52.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.5 m-85 -95.91 112.09 23.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 40.6 m -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.41 102.78 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 170.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.484 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 7.6 m -92.72 100.63 13.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.422 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.01 102.99 11.33 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.58 29.57 3.58 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.767 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -79.55 -31.93 42.08 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -132.78 145.86 51.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.551 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -74.68 139.13 43.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -91.33 -176.03 4.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.895 -169.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -75.16 114.01 13.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.724 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -142.05 8.74 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -86.58 114.56 23.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.163 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.7 mmt -134.85 95.62 3.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.908 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -113.39 -1.1 14.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 109.95 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.74 132.06 70.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.43 0.633 . . . . 0.0 111.377 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -146.74 -39.02 0.21 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.827 175.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.81 160.9 14.73 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.915 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.501 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 36.9 mtm -89.95 146.61 24.26 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.682 HG21 ' HA ' ' A' ' 122' ' ' LYS . 7.1 p -90.44 166.66 13.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.335 0.588 . . . . 0.0 111.926 -174.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -140.83 131.37 25.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.699 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.051 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.7 mm? -105.32 152.27 23.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 1.3 tmmt? -128.23 109.4 11.44 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.079 0.466 . . . . 0.0 109.981 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 144' ' ' VAL . 0.8 OUTLIER -84.74 130.6 35.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.654 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -124.58 168.42 13.15 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.517 -174.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 30.5 m-80 62.62 31.13 16.94 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -169.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 82' ' ' THR . 39.6 tp -79.75 142.41 35.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.993 -174.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.3 p -86.39 141.98 28.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -80.67 59.25 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.717 0.77 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -147.56 16.0 1.13 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.502 -1.226 . . . . 0.0 107.864 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.455 HG23 HG21 ' A' ' 86' ' ' THR . 92.3 m -102.65 118.43 36.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.911 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.741 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.6 m -94.26 156.75 38.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.51 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.558 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.9 Cg_endo -50.2 -50.69 12.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.953 2.435 . . . . 0.0 112.796 177.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.2 -34.22 71.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.741 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -53.12 -56.58 15.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.719 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.556 HD22 ' HE2' ' A' ' 91' ' ' PHE . 22.2 mt -74.49 -36.14 63.26 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.035 -177.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -55.58 -50.34 70.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -54.96 -41.28 70.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.71 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 86' ' ' THR . 4.3 t -74.83 -55.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.0 111.321 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.556 ' HE2' HD22 ' A' ' 87' ' ' LEU . 35.4 m-85 -64.05 -36.06 82.78 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -171.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HA ' HG12 ' A' ' 97' ' ' VAL . 13.0 pt-20 -63.14 -12.67 29.19 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -72.82 -37.18 67.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.427 . . . . 0.0 110.392 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -83.45 -33.95 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.431 -173.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.22 179.93 34.48 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -83.73 98.17 9.53 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.6 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.4 p -91.72 121.7 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.765 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.18 -45.37 6.62 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.97 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -136.49 155.2 50.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.411 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.25 125.53 66.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.47 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 2.2 t80 -85.7 -60.02 2.14 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.124 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.735 HG12 ' HB1' ' A' ' 115' ' ' ALA . 10.6 mt 41.62 75.1 0.65 Allowed Pre-proline 0 N--CA 1.469 0.483 0 O-C-N 124.324 1.015 . . . . 0.0 110.254 -173.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.596 ' HB2' ' HG2' ' A' ' 151' ' ' ARG . 90.8 Cg_endo -84.89 164.12 11.82 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.951 2.434 . . . . 0.0 113.654 -170.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -128.81 -33.21 2.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.316 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.67 ' HA ' ' HA ' ' A' ' 153' ' ' PRO . 8.8 t70 -132.1 142.9 49.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.168 0.187 . . . . 0.0 110.651 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.713 ' HD3' ' HB2' ' A' ' 107' ' ' TYR . 3.5 tmt_? -155.86 -77.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.025 177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.713 ' HB2' ' HD3' ' A' ' 106' ' ' ARG . 25.3 m-85 -144.67 -77.37 0.21 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 152' ' ' PRO . 33.2 p -120.95 158.46 27.67 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -174.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.958 ' HA ' ' HB3' ' A' ' 152' ' ' PRO . 14.3 mmmm -75.83 78.94 2.75 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.214 0.531 . . . . 0.0 110.829 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -78.27 -29.66 48.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.107 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.864 ' H ' ' HG3' ' A' ' 152' ' ' PRO . 16.0 m -151.27 -159.38 1.02 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' A' ' 112' ' ' ARG . 22.2 mmt180 -109.71 -82.68 0.57 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.441 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -129.28 116.55 2.2 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.313 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.52 ' HZ ' ' HA ' ' A' ' 151' ' ' ARG . 19.2 p90 -154.22 169.32 23.91 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.735 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -141.19 144.15 34.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.799 0.333 . . . . 0.0 111.489 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 35.7 m-85 -98.84 142.23 30.62 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 1.051 HG22 ' HB2' ' A' ' 73' ' ' LEU . 2.8 m -128.32 133.49 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.852 175.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.526 0.203 . . . . 0.0 111.169 -170.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.813 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 15.6 m-85 -102.67 165.91 10.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 70' ' ' MET . 55.5 t-80 -61.9 -67.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.276 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.544 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 1.2 t70 -129.71 -175.92 3.75 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.316 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.682 ' HA ' HG21 ' A' ' 71' ' ' THR . 75.8 tttt -68.85 -32.01 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.544 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 29.4 ptt180 -55.45 -36.48 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.813 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 8.7 m-20 -77.29 -37.53 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.133 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -73.28 -41.53 63.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.411 -174.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 50.8 mt-10 -67.21 -39.96 86.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.202 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.2 -43.65 78.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.719 0.771 . . . . 0.0 109.625 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.81 -52.71 7.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.519 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.756 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.04 -32.58 73.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.263 . . . . 0.0 111.194 -176.005 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.49 -37.91 80.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.202 0.525 . . . . 0.0 109.874 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.86 -56.21 5.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.792 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.508 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 65.7 mtp -84.9 0.27 51.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.48 -169.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -67.29 93.11 0.3 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.665 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 104.81 40.08 2.22 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.343 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.4 119.26 38.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.397 0.279 . . . . 0.0 110.774 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 41.3 t -87.23 118.36 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.147 0.975 . . . . 0.0 111.309 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.695 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -107.43 -22.85 12.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.524 -174.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.35 -66.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.668 0.747 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -162.71 28.09 0.25 Allowed Glycine 0 CA--C 1.498 -0.994 0 N-CA-C 107.091 -2.403 . . . . 0.0 107.091 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.616 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.3 tpp180 -151.63 128.83 11.18 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 112.35 -1.925 . . . . 0.0 108.895 -170.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.665 ' HB2' ' HA2' ' A' ' 134' ' ' GLY . 1.5 pm0 -84.39 111.84 19.81 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -56.49 143.57 34.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.165 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.6 tpp180 -90.42 82.98 5.86 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 172.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 60.6 t -84.42 109.76 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.244 0.545 . . . . 0.0 110.377 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.28 179.3 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.975 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.3 mmt -73.41 141.33 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -101.45 170.66 8.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.359 0.6 . . . . 0.0 112.542 -173.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ARG . . . . . 0.553 ' HG3' ' H ' ' A' ' 149' ' ' TYR . 13.6 tpt180 -150.98 -162.46 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.553 ' H ' ' HG3' ' A' ' 148' ' ' ARG . 77.1 m-85 -101.24 93.43 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.235 0.54 . . . . 0.0 111.099 -175.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -170.41 134.14 3.04 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.737 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.893 ' HD2' ' HD2' ' A' ' 152' ' ' PRO . 18.6 tpt180 -163.04 125.95 1.73 Allowed Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.165 0.507 . . . . 0.0 110.586 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.958 ' HB3' ' HA ' ' A' ' 109' ' ' LYS . 15.9 Cg_exo -70.33 136.9 32.6 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.349 2.699 . . . . 0.0 112.35 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.67 ' HA ' ' HA ' ' A' ' 105' ' ' ASP . 3.0 Cg_exo -76.45 98.07 1.18 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.577 2.185 . . . . 0.0 111.169 172.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -103.76 23.68 12.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.811 0.815 . . . . 0.0 109.184 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 38.0 m -70.13 97.17 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.217 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 176.96 -173.81 0.11 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 -173.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.73 106.75 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.47 0.481 . . . . 0.0 110.056 167.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.768 -178.467 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.746 0.307 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -105.53 125.02 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.904 0.383 . . . . 0.0 110.076 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' THR . 27.7 m-85 -110.59 142.67 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.111 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.1 ttmt -112.98 127.52 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.067 0.46 . . . . 0.0 111.314 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 52' ' ' PHE . 43.1 tp -94.49 123.23 37.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 mm -98.84 104.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.716 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.6 mt -82.24 98.16 8.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 35.6 t-20 -100.69 57.73 0.91 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -92.4 -138.28 8.34 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.942 -173.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 49.2 mtpt -120.5 -59.41 1.77 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.336 0.589 . . . . 0.0 109.625 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.0 m -90.51 -28.79 18.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.417 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 37' ' ' ASN . 58.2 tp -109.41 116.96 32.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.114 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.22 97.44 3.6 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 173.02 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.716 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.89 170.37 29.98 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.915 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 5.1 mp0 -122.53 126.67 48.28 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -134.41 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' HE3' ' A' ' 4' ' ' LYS . 42.8 p -128.25 154.35 45.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.021 0.438 . . . . 0.0 111.324 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -136.46 143.19 43.73 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -85.26 75.39 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.24 136.7 32.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.006 -173.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 m -68.6 -31.43 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.154 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.42 163.39 32.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.541 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.97 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.07 72.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.493 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.0 m -73.0 -36.0 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.058 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.04 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.238 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.7 pt-20 -61.27 -37.49 83.35 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -51.3 -48.39 62.33 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.987 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.6 t -76.4 -38.05 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.183 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 21.5 m-30 -61.59 -36.06 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 0.0 110.033 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -71.38 -37.61 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.12 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -61.06 -47.15 87.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.85 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -61.08 -50.09 74.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.44 -48.8 73.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -60.72 -38.95 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.87 -29.39 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.848 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HB3' HD22 ' A' ' 12' ' ' LEU . 19.8 m-80 -90.14 -9.82 46.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.54 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.7 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.598 -0.81 . . . . 0.0 114.008 172.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -101.65 115.27 43.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.32 0.581 . . . . 0.0 111.036 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -126.7 107.46 10.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.87 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.03 -164.32 11.19 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.705 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.06 107.18 8.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -76.67 116.05 16.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.493 HG21 ' CG ' ' A' ' 64' ' ' HIS . 13.2 p -126.92 125.79 42.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.165 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -99.15 122.98 43.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.004 0.43 . . . . 0.0 109.98 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.02 115.7 28.36 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.76 -52.55 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.13 86.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -89.56 -10.98 44.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.26 32.66 12.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.328 0.585 . . . . 0.0 109.935 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 ' HB3' ' A' ' 4' ' ' LYS . 19.5 p -110.0 148.67 31.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.709 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' O ' HD12 ' A' ' 5' ' ' LEU . 60.3 m-85 -109.18 111.79 23.6 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.0 m -102.1 118.17 36.33 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -98.3 105.66 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.641 0.734 . . . . 0.0 109.5 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 4.8 m -93.52 108.46 20.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.971 -169.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' OE1' ' HD2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -105.22 18.8 21.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 0.0 109.611 175.244 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.06 64.66 2.71 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.643 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 m -72.16 119.97 17.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.054 0.454 . . . . 0.0 111.256 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -164.32 -69.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.024 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -152.59 40.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.63 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -57.8 -64.41 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.065 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 68.22 -67.33 0.2 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.374 0.669 . . . . 0.0 112.047 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -134.2 166.4 22.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.07 -177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CG ' HG21 ' A' ' 44' ' ' THR . 57.5 t-80 -117.45 101.93 8.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.776 0.322 . . . . 0.0 111.268 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.8 ptp -122.29 4.53 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.296 0.57 . . . . 0.0 109.718 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -150.21 131.07 14.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.14 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 p -100.08 137.24 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 121.305 -0.158 . . . . 0.0 110.638 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 66.71 -75.52 0.06 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.923 0.764 . . . . 0.0 110.471 -175.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.19 54.16 2.64 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.068 176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -57.02 126.31 26.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.049 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 122' ' ' LYS . 14.0 p -102.96 149.24 24.73 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 19.7 m -115.8 138.88 50.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.6 mm? -115.14 138.84 50.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.777 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.58 109.46 22.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.958 173.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.83 124.12 53.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 7.3 t70 -135.3 170.85 15.3 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.502 -167.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 58.91 27.26 15.99 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.806 0.813 . . . . 0.0 109.118 -171.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 137' ' ' LEU . 54.6 tp -79.05 151.67 31.33 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.203 -173.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.2 p -83.44 168.99 16.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.536 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.574 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 11.4 t80 -96.25 8.35 44.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.288 0.566 . . . . 0.0 109.98 -177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -104.03 -3.02 25.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.18 0.514 . . . . 0.0 110.361 175.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.545 ' O ' ' HD3' ' A' ' 104' ' ' ARG . 95.1 m -73.26 122.55 22.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.346 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.768 ' O ' ' HB ' ' A' ' 86' ' ' THR . 37.9 t -91.17 151.65 43.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.463 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.607 ' HA ' HD12 ' A' ' 102' ' ' ILE . 5.4 Cg_endo -51.13 -44.2 43.97 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.673 2.249 . . . . 0.0 111.903 173.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.87 -31.16 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.659 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.768 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -59.11 -59.26 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.65 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.734 ' HG ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mp -61.73 -40.12 93.96 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.525 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -57.05 -45.95 82.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.908 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -68.72 -44.63 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.365 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 86' ' ' THR . 4.1 t -73.36 -44.72 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.857 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.734 ' HE1' ' HG ' ' A' ' 87' ' ' LEU . 67.2 m-85 -73.19 -31.29 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.0 pt-20 -64.64 -13.74 55.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.737 0.303 . . . . 0.0 111.755 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -66.07 -46.26 78.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.548 . . . . 0.0 110.268 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.85 -37.89 20.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.499 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.673 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -144.78 166.63 27.36 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.769 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -78.39 90.82 4.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.977 0.418 . . . . 0.0 110.395 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.3 p -86.15 133.44 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.117 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.7 -48.38 5.26 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.142 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -157.66 170.52 22.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.15 156.33 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.428 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' A' ' 103' ' ' PRO . 65.7 t80 -133.95 110.53 9.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.919 0.39 . . . . 0.0 110.04 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 84' ' ' PRO . 24.1 mt -115.53 104.11 53.45 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 15.6 Cg_exo -72.76 34.7 0.32 Allowed 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 124.104 3.202 . . . . 0.0 112.532 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.574 ' HD2' ' O ' ' A' ' 80' ' ' TYR . 33.1 ttp180 -76.89 65.07 2.52 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.548 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -158.5 90.75 1.04 Allowed 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.934 -0.307 . . . . 0.0 111.592 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.464 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER 71.14 -55.34 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.564 171.771 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -61.35 -32.2 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.562 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.4 p -84.08 -72.28 0.47 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 50.7 tttm 64.52 -79.72 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.886 0.741 . . . . 0.0 111.763 175.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -161.68 83.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.3 t -171.46 -64.71 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.171 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -127.13 104.37 7.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.677 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -96.52 87.61 0.96 Allowed Glycine 0 N--CA 1.442 -0.916 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.46 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 44.8 p90 -130.45 145.79 51.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.448 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -140.67 167.1 22.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.899 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -131.29 149.85 52.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.34 0.59 . . . . 0.0 111.461 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.699 HG22 ' HB2' ' A' ' 73' ' ' LEU . 11.5 m -131.35 139.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.455 176.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 118' ' ' ARG . 31.5 ttt180 -111.18 108.95 18.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.485 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 49.0 m-85 -92.27 168.73 11.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.076 0.465 . . . . 0.0 111.513 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.511 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 5.7 t60 -74.1 -56.71 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.861 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.656 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 19.9 t70 -129.91 174.53 9.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.604 ' HA ' HG21 ' A' ' 71' ' ' THR . 82.3 tttt -65.98 -29.4 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.656 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 3.4 ptm180 -53.17 -38.95 63.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.673 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.1 m-20 -75.74 -37.76 59.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.13 -177.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.403 ' HB2' ' OG1' ' A' ' 71' ' ' THR . . . -66.83 -43.87 82.61 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.82 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.513 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 41.9 mt-10 -68.95 -32.03 71.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.27 -44.88 82.34 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.644 0.735 . . . . 0.0 109.45 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.55 -48.11 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.36 -172.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.934 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -58.13 -37.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 -176.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.4 ' HB2' ' CE ' ' A' ' 129' ' ' MET . 13.1 t70 -76.06 -45.36 34.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.3 -44.0 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -171.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.873 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 31.1 ttm -86.12 -6.42 59.01 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -168.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.05 80.33 0.94 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.547 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 129.59 10.44 2.94 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.086 -170.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.873 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -96.85 139.94 32.15 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 122.489 0.316 . . . . 0.0 111.022 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.63 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.4 t -96.5 119.36 44.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.255 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.759 ' HB3' HD21 ' A' ' 142' ' ' LEU . 1.4 pt? -107.3 -31.2 8.3 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.809 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.412 ' H ' HD23 ' A' ' 137' ' ' LEU . 43.1 m-20 -153.93 51.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -175.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.35 73.01 Favored Glycine 0 C--O 1.229 -0.195 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.642 -174.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.4 OUTLIER -148.7 130.42 15.05 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 122.948 0.499 . . . . 0.0 110.07 -178.025 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 3.2 mp0 -78.98 114.16 17.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 169.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.2 mm? -49.98 132.24 22.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.517 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.449 ' HD3' ' HB3' ' A' ' 76' ' ' ASP . 44.0 ttt180 -91.28 99.56 12.52 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.807 HG12 HD12 ' A' ' 73' ' ' LEU . 10.4 t -111.15 125.43 68.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.143 0.497 . . . . 0.0 110.264 -170.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -127.73 139.41 52.7 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.677 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.1 ttt -72.88 117.24 14.35 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . -119.94 82.25 1.86 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.182 0.515 . . . . 0.0 111.021 -176.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -80.11 86.23 5.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.2 0.524 . . . . 0.0 110.086 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -68.57 -41.63 79.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.082 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 79.75 172.07 43.1 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.749 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 151' ' ' ARG . 40.5 mtm180 64.0 92.31 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 121.04 0.448 . . . . 0.0 111.283 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.53 118.56 5.65 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.624 2.216 . . . . 0.0 113.08 -175.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.57 109.5 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.859 2.372 . . . . 0.0 110.544 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 25.1 t70 60.07 -98.24 0.08 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.96 -173.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 44.2 t 175.92 -41.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -123.11 -28.5 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.36 164.32 12.89 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.351 0.523 . . . . 0.0 111.533 176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.385 176.749 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -80.66 110.86 16.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.635 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -106.25 134.86 48.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 177.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HB3' HG22 ' A' ' 51' ' ' THR . 33.5 ttmt -108.61 135.14 50.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 111.506 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 46.9 tp -100.68 125.34 47.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.02 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.4 mm -103.68 99.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 12' ' ' LEU . 4.3 mp -85.35 102.48 13.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.703 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 10.1 t-20 -94.07 51.61 1.53 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.645 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -88.0 166.08 35.13 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.39 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -80.85 -36.66 31.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 0.0 109.872 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -97.26 -48.7 5.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 7' ' ' LEU . 2.1 tm? -110.56 103.46 12.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.37 0.605 . . . . 0.0 110.419 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.0 tttm -114.86 113.27 23.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.57 172.93 29.49 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.812 -1.185 . . . . 0.0 113.276 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.25 110.22 8.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.7 t -136.42 156.29 48.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.632 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 72.5 p -123.03 166.32 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -151.92 142.15 22.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -80.14 94.68 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.357 0.598 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.78 151.61 23.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.583 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -86.47 -27.44 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.836 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.31 164.84 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.937 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.59 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.65 -33.48 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.716 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -69.49 -41.66 75.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.092 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.27 -50.13 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.514 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.8 pt-20 -57.59 -33.58 68.34 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.459 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -61.16 -46.13 91.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.24 0.543 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -71.99 -38.27 63.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.444 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.0 m-30 -64.82 -34.91 79.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.116 177.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 96.4 mttt -67.17 -41.54 85.77 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.24 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -64.9 -42.56 94.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.23 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' HD1' HD21 ' A' ' 7' ' ' LEU . 25.1 t80 -62.82 -50.66 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.35 -49.61 73.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.399 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -67.07 -35.2 79.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.278 -175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.86 -40.99 88.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 30.7 m-80 -72.97 -34.81 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.36 -19.38 5.68 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.19 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.82 115.78 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.403 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -125.54 109.07 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.26 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.68 -168.61 11.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.859 -173.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 24.3 tp10 -71.47 124.55 24.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 94.1 m95 -89.75 98.48 11.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.172 0.511 . . . . 0.0 110.883 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -106.99 110.63 22.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.506 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.42 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 34.9 t80 -100.9 137.56 39.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.983 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.15 124.93 49.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.713 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.21 177.31 8.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.2 -43.61 0.55 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.698 0.799 . . . . 0.0 110.908 -174.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -90.76 -25.36 20.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.635 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.8 mmtt 63.03 46.04 4.95 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.289 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 4' ' ' LYS . 22.3 p -115.33 130.95 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.614 -177.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 49.6 m-85 -102.63 112.77 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.594 173.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.6 m -99.89 112.72 24.97 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 54' ' ' VAL . 8.6 p -106.17 105.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.692 0.758 . . . . 0.0 109.707 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.703 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 29.5 m -93.79 123.04 36.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.503 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.645 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 14.6 tt0 -80.97 56.83 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.262 0.553 . . . . 0.0 111.044 -175.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.3 5.45 9.42 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.323 175.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 m -106.79 99.61 9.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.205 0.526 . . . . 0.0 111.081 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -103.02 94.44 5.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.233 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -66.26 -46.84 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.584 -171.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -92.72 -108.17 0.11 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.445 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 1.005 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 88.6 m-70 -139.2 164.81 28.82 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -63.15 109.12 1.42 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.491 . . . . 0.0 110.756 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.8 m80 62.5 22.3 13.18 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.073 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 1.005 ' HB2' ' HB2' ' A' ' 62' ' ' HIS . 64.0 mtt -130.05 76.71 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.25 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -75.01 -27.55 60.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.1 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.49 124.64 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.681 173.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.56 111.65 20.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.371 0.605 . . . . 0.0 110.384 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' HD3' ' A' ' 118' ' ' ARG . . . 148.07 84.14 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 31.8 mmt -91.31 -66.97 0.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.633 HG21 ' HA ' ' A' ' 122' ' ' LYS . 0.9 OUTLIER -75.31 121.79 22.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.175 -178.029 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 4.4 m -101.06 131.62 46.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.181 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.768 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.3 mm? -108.45 145.07 35.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.939 177.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 14.0 tptp -106.27 114.26 28.28 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.098 177.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG12 HG13 ' A' ' 144' ' ' VAL . 1.2 m -104.68 121.79 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.93 -178.09 4.06 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m120 54.96 35.32 24.28 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -171.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 142' ' ' LEU . 24.8 tp -89.3 154.96 19.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.597 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.4 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 57.5 p -86.59 155.93 20.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -177.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -72.2 -16.03 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.292 0.568 . . . . 0.0 110.233 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.463 ' HD2' ' OD1' ' A' ' 138' ' ' ASP . 5.1 ptp180 -95.47 13.67 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.318 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.483 HG22 HD13 ' A' ' 102' ' ' ILE . 88.6 m -82.78 121.11 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.375 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.854 ' O ' ' HB ' ' A' ' 86' ' ' THR . 18.8 m -97.53 154.5 37.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.705 ' HA ' HD12 ' A' ' 102' ' ' ILE . 50.7 Cg_exo -52.94 -43.52 56.03 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.323 2.015 . . . . 0.0 112.88 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.88 -25.91 66.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.854 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -54.65 -56.89 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.977 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.2 mt -70.4 -30.94 67.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.359 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 84' ' ' PRO . 94.9 mtt180 -55.12 -53.79 51.48 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 89' ' ' ARG . 40.6 ttp-105 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.482 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 86' ' ' THR . 2.2 t -74.11 -47.78 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.082 0.468 . . . . 0.0 111.244 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.604 ' HE2' HD22 ' A' ' 87' ' ' LEU . 37.9 m-85 -71.12 -36.51 72.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.363 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HA ' HG12 ' A' ' 97' ' ' VAL . 10.4 pt-20 -58.83 -20.53 51.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -67.85 -42.21 81.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.267 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.3 -39.44 20.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.29 -175.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -143.58 166.92 26.76 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.87 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -81.66 86.44 6.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.612 . . . . 0.0 110.521 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -76.6 141.35 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.351 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.66 -35.48 1.4 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.046 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -150.53 119.36 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 111.047 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.87 156.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.801 0.334 . . . . 0.0 110.223 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -136.5 94.54 3.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.038 0.447 . . . . 0.0 110.274 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 84' ' ' PRO . 23.2 mt -105.7 98.38 17.57 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 176.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.61 -177.62 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.075 2.517 . . . . 0.0 113.595 -172.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.83 93.14 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.023 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -71.16 172.84 8.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.819 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.564 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 7.3 ppt_? -73.77 -4.59 35.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.481 . . . . 0.0 110.825 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -84.59 -31.63 24.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.4 p -130.04 156.87 43.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.84 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' A' ' 110' ' ' GLU . 32.1 mmtp 58.39 -145.69 0.55 Allowed 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.614 174.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -99.27 -4.89 30.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.435 -178.747 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.564 ' OG ' ' HA ' ' A' ' 106' ' ' ARG . 31.3 m 71.69 118.98 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.091 0 O-C-N 123.966 0.791 . . . . 0.0 111.386 -177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.503 ' HG3' ' CG2' ' A' ' 102' ' ' ILE . 3.5 mpt_? 69.76 -106.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.782 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.36 -50.73 4.06 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.881 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -146.84 162.52 38.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 168.0 28.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.604 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.7 m-85 -126.88 152.32 47.22 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.991 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 73' ' ' LEU . 9.2 m -136.47 137.99 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 71' ' ' THR . 79.2 mtt180 -118.8 128.56 54.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.328 0.585 . . . . 0.0 112.008 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.57 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 56.9 m-85 -107.76 170.27 8.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.515 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -54.9 -65.23 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.152 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.5 t70 -130.68 169.16 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.943 -176.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.633 ' HA ' HG21 ' A' ' 71' ' ' THR . 41.7 tttm -61.66 -26.38 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.62 0.248 . . . . 0.0 110.508 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 18.8 ptp180 -59.2 -34.94 72.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.067 0.461 . . . . 0.0 110.517 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 15.3 m-20 -79.29 -31.55 43.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.312 0.577 . . . . 0.0 109.956 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.23 -40.07 46.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.29 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.492 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 42.0 mt-10 -70.63 -32.83 70.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 0.0 110.818 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.72 -41.7 97.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.23 -52.86 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.291 -173.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.712 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.47 -33.73 73.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.738 0.304 . . . . 0.0 111.174 -175.289 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.81 -45.52 42.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.0 110.502 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.1 59.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.138 -174.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.585 ' HE1' HG12 ' A' ' 90' ' ' VAL . 27.4 tpp -74.55 -18.33 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -175.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.5 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 30.2 t70 -73.42 82.05 1.43 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 130.98 19.02 1.3 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.44 -170.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -107.72 114.58 28.64 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 122.502 0.321 . . . . 0.0 111.398 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.906 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.7 t -82.46 94.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.915 0.388 . . . . 0.0 110.216 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.58 ' O ' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -83.94 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.578 0.704 . . . . 0.0 110.532 -178.076 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.463 ' OD1' ' HD2' ' A' ' 81' ' ' ARG . 4.2 t70 -160.68 -71.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.917 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.0 25.53 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.906 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -163.16 165.18 24.81 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.729 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 26.3 mt-10 -96.69 14.48 24.83 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.946 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.652 ' H ' ' HG2' ' A' ' 140' ' ' ARG . 1.9 mm? 51.63 -166.76 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.677 -171.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.5 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 12.1 tpp180 -146.67 93.37 2.28 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 168.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 22.0 t -105.08 115.27 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -129.69 168.35 16.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 53.6 tpp -71.69 122.88 21.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -116.49 103.76 10.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.182 0.515 . . . . 0.0 110.946 -177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 148' ' ' ARG . 37.6 ttp180 -97.41 122.85 40.92 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -69.02 111.26 4.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.389 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -66.92 -50.71 45.15 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -85.33 117.17 68.22 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 171.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 39.3 Cg_exo -59.43 117.32 4.04 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.328 2.018 . . . . 0.0 110.627 173.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 37.2 Cg_exo -59.85 104.33 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.866 2.378 . . . . 0.0 112.905 -174.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.51 139.14 40.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.058 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 30.9 p -98.69 -37.32 9.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.793 0.806 . . . . 0.0 108.941 173.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -154.12 136.37 14.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.534 -1.212 . . . . 0.0 107.805 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 174.46 138.48 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.884 0.373 . . . . 0.0 110.453 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.5 m . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.488 -0.768 . . . . 0.0 109.495 176.749 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -81.6 112.05 18.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.94 149.06 24.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.235 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 51' ' ' THR . 27.8 ttmt -111.86 136.34 51.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.171 0.51 . . . . 0.0 111.089 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 30' ' ' PHE . 60.3 tp -102.96 123.98 47.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.957 176.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 48.7 mm -104.05 101.85 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 12' ' ' LEU . 4.1 mp -89.64 100.12 12.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.858 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.4 t-20 -97.74 49.49 1.03 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.456 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -83.07 -170.7 46.47 Favored Glycine 0 N--CA 1.44 -1.055 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.745 -174.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -89.25 -49.18 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.018 0.437 . . . . 0.0 110.434 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 m -104.18 -10.25 18.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.904 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -134.07 118.71 18.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.722 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.7 tttm -142.77 96.75 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.162 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.0 28.41 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -123.42 126.06 46.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -139.23 165.01 28.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.364 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -137.1 163.89 29.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.359 . . . . 0.0 111.239 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -154.97 146.54 23.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.694 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.26 99.56 10.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.2 149.59 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.976 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.89 -23.8 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.758 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -154.56 158.26 39.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.408 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.06 84.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.641 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -66.62 -27.28 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 29' ' ' VAL . 24.7 m -72.5 -46.93 52.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.872 175.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.442 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.4 pt-20 -61.58 -34.07 74.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -175.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -68.0 -37.96 82.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.361 . . . . 0.0 110.76 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 25' ' ' THR . 22.6 t -72.17 -34.69 50.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.433 0.635 . . . . 0.0 109.823 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.655 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.2 m-30 -66.84 -34.97 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.989 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.03 -35.9 79.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.27 -48.56 81.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.101 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.437 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.4 t80 -60.14 -51.12 70.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.432 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -63.11 -36.49 83.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.33 -36.81 77.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.64 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.2 m-80 -84.05 -8.97 58.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.768 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.44 18.49 52.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.534 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.56 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 4.7 p -121.42 129.0 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.141 0.496 . . . . 0.0 111.789 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.94 104.51 3.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.98 -151.27 8.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.888 -173.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 39.3 tt0 -70.03 96.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 77.6 m95 -68.85 112.08 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.845 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.41 114.34 16.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.44 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 49.0 t80 -98.75 131.72 44.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.296 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -111.67 116.54 30.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.362 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.44 -20.81 59.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.099 -176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -53.67 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.973 0.416 . . . . 0.0 110.847 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -86.45 -2.21 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.527 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.55 34.11 18.02 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.52 0.512 . . . . 0.0 110.422 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 24.0 p -115.21 143.31 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' O ' HD12 ' A' ' 5' ' ' LEU . 62.8 m-85 -109.34 111.78 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 166.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.411 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 59.1 m -103.17 124.81 49.29 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 121.336 -0.146 . . . . 0.0 110.768 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.74 103.45 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 170.64 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 29.5 m -86.55 100.34 12.33 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.62 166.63 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.055 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 58' ' ' SER . . . 136.35 -7.72 4.02 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.312 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 57' ' ' GLY . 46.0 t 76.19 -40.09 0.38 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.319 0.648 . . . . 0.0 111.481 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 74.49 -40.06 0.44 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.8 0.84 . . . . 0.0 111.102 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.2 t60 62.2 38.46 13.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.268 0.556 . . . . 0.0 110.514 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -89.23 -14.52 35.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.46 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -80.1 109.04 14.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.864 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -121.29 108.89 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 66' ' ' ASP . 53.0 t-80 -83.01 106.33 14.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.797 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 52.8 ttm -89.5 90.81 8.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.17 0.509 . . . . 0.0 110.676 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.427 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 6.2 p-10 -116.73 10.12 14.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.935 175.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.89 161.86 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.702 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 120' ' ' HIS . 24.9 tt0 -171.65 167.82 6.42 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.553 ' CA ' ' HB3' ' A' ' 118' ' ' ARG . . . -121.88 73.35 0.37 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.8 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.8 mmt -96.84 -59.57 1.78 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.723 0.296 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.5 m -92.57 121.54 34.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -105.9 123.81 48.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.084 0.469 . . . . 0.0 111.513 -173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.56 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 3.3 mm? -93.55 156.23 16.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.802 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 1.075 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 11.3 tmtt? -127.26 109.85 12.24 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.758 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.502 HG12 HG22 ' A' ' 144' ' ' VAL . 2.3 m -100.71 138.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.581 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.49 178.7 6.78 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 62.12 29.55 17.59 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.785 0.802 . . . . 0.0 109.041 -170.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.625 HD11 HG21 ' A' ' 82' ' ' THR . 19.6 tp -73.8 133.45 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.11 -172.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 140' ' ' ARG . 2.3 p -70.09 152.85 43.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.05 0.452 . . . . 0.0 111.682 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.814 ' HD2' ' HB3' ' A' ' 111' ' ' SER . 52.5 m-85 -82.74 21.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.488 -170.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' HD3' ' OD2' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -133.97 9.91 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.147 0.498 . . . . 0.0 110.231 175.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.625 HG21 HD11 ' A' ' 78' ' ' LEU . 54.2 m -78.85 112.12 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.13 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.782 ' O ' ' HB ' ' A' ' 86' ' ' THR . 13.8 m -92.53 158.34 38.63 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.329 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -55.84 -43.25 58.98 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.361 2.041 . . . . 0.0 112.139 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.25 -34.43 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 109.89 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.782 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -61.37 -56.55 19.03 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.196 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.626 HD22 ' HE1' ' A' ' 91' ' ' PHE . 15.6 mt -69.24 -37.43 77.97 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.649 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HA ' HG11 ' A' ' 100' ' ' VAL . 39.3 ttp180 -54.91 -51.24 66.65 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -56.76 -41.69 78.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.833 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 86' ' ' THR . 4.9 t -73.68 -49.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.943 0.402 . . . . 0.0 111.096 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.626 ' HE1' HD22 ' A' ' 87' ' ' LEU . 34.7 m-85 -71.31 -27.76 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.732 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -71.98 -6.93 45.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.95 0.405 . . . . 0.0 110.959 -179.548 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -78.27 -39.6 39.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.112 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.38 -35.4 25.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.836 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.23 175.79 31.54 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -91.41 99.27 12.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.02 0.41 . . . . 0.0 110.813 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 1.8 m -86.41 143.49 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.788 0.328 . . . . 0.0 110.288 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.79 -32.24 5.44 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.071 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -156.23 128.58 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.646 0.26 . . . . 0.0 110.583 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.578 HG12 HG13 ' A' ' 117' ' ' VAL . 27.2 m -109.94 142.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 103' ' ' PRO . 44.2 t80 -138.48 116.23 11.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.482 HG12 ' HB1' ' A' ' 115' ' ' ALA . 27.0 mt -116.03 88.42 21.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.871 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 74.4 Cg_endo -91.74 137.52 1.93 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.419 2.746 . . . . 0.0 113.929 -174.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 103' ' ' PRO . 13.2 tpt180 172.11 -29.01 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.877 175.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -75.61 -60.22 2.41 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.56 ' HG3' ' HD1' ' A' ' 107' ' ' TYR . 4.5 ppt_? -59.74 -29.21 68.0 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -166.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.56 ' HD1' ' HG3' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -123.07 122.58 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.588 178.067 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.6 p 49.81 67.44 0.9 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.26 -173.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 109' ' ' LYS . 20.0 ptmt -57.02 111.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.507 -171.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -110.09 -67.82 0.97 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 171.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.814 ' HB3' ' HD2' ' A' ' 80' ' ' TYR . 40.5 t 177.67 -91.0 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.968 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.581 ' HB2' ' HA ' ' A' ' 80' ' ' TYR . 27.0 mmt180 -137.82 152.66 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -158.94 -48.8 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.017 -1.087 . . . . 0.0 112.719 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.444 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 39.7 p90 -140.96 153.89 45.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.482 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -144.0 156.21 44.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.97 0.414 . . . . 0.0 111.31 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -113.76 142.07 46.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.797 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 100' ' ' VAL . 21.2 t -131.82 117.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.122 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.553 ' HB3' ' CA ' ' A' ' 69' ' ' GLY . 84.3 mtt180 -102.54 122.26 44.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.799 0.333 . . . . 0.0 111.552 -174.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.777 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 44.8 m-85 -106.06 167.53 9.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 35.4 t-80 -63.27 -62.91 1.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.661 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.816 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.0 m-20 -119.78 -178.92 3.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.084 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 49.5 tttm -72.34 -28.35 62.99 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.816 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 3.5 ptp180 -56.0 -37.85 69.67 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 176.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.777 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 12.8 m-20 -72.9 -37.3 67.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.954 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.534 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -74.84 -38.34 62.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.314 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.1 mt-10 -65.28 -46.85 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.216 -177.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.06 -32.36 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.998 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.86 -53.66 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.56 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.74 -30.08 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.293 . . . . 0.0 111.163 -174.728 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.71 -46.94 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.186 0.517 . . . . 0.0 110.064 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.25 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.601 -174.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.752 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 57.8 mtp -92.16 1.89 56.93 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -164.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.76 84.2 2.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.43 27.44 2.85 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.003 -0.998 . . . . 0.0 111.303 -168.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.752 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -108.65 140.39 42.09 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 122.22 0.208 . . . . 0.0 111.042 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.9 t -95.69 111.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.808 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.58 -15.71 44.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.97 0.414 . . . . 0.0 110.24 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.556 ' N ' HD13 ' A' ' 137' ' ' LEU . 28.5 t70 -167.93 -68.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.048 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.35 32.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.844 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.704 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -160.43 138.01 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 122.501 0.32 . . . . 0.0 110.45 -178.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.9 mp0 -79.3 110.17 14.33 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -65.83 152.4 44.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.195 0.522 . . . . 0.0 111.325 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 21.1 ttm180 -99.51 94.05 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.502 HG22 HG12 ' A' ' 75' ' ' VAL . 23.6 t -98.14 110.12 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.028 0.442 . . . . 0.0 110.169 -176.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -117.19 155.79 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.211 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 14.4 mmt -66.89 117.6 9.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 1.075 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -79.8 81.4 6.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.441 0.638 . . . . 0.0 111.285 -174.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -95.96 -44.76 7.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 172.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -157.3 115.35 3.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.116 171.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -79.69 -8.34 87.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.316 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -99.94 121.74 53.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.785 0.326 . . . . 0.0 110.669 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 39.4 Cg_endo -66.57 134.53 35.8 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.704 2.269 . . . . 0.0 111.722 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 42.4 Cg_exo -56.91 -65.84 0.1 OUTLIER 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.572 2.182 . . . . 0.0 111.865 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -165.63 81.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.007 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 13.1 m -143.5 -173.46 3.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -47.01 150.67 0.73 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.493 165.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 63.33 119.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.029 0.918 . . . . 0.0 111.583 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 43.1 m . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.823 178.36 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.1 mmt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.138 0.494 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -84.32 91.82 7.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 75.4 m-85 -93.07 118.55 31.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.222 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 51' ' ' THR . 34.9 ttmt -112.2 136.99 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 63.6 tp -96.79 116.79 29.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -94.69 100.2 10.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.2 mp -87.54 99.5 12.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.314 -178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -97.41 72.84 2.4 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.375 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.08 177.23 33.75 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 119.5 -1.333 . . . . 0.0 112.138 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -64.74 -42.07 95.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.019 0.437 . . . . 0.0 109.959 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -120.23 -41.23 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.782 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 1.9 tm? -85.08 114.98 22.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.054 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.8 tttm -134.59 112.3 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.182 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.35 167.43 29.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.457 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 27.0 mt-10 -140.98 99.59 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -137.08 147.51 46.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.099 0.476 . . . . 0.0 111.838 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.614 HG22 ' HB2' ' A' ' 4' ' ' LYS . 71.5 p -100.45 163.74 12.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.666 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -135.03 0.65 2.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.811 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 1' ' ' MET . 47.3 mt-10 36.41 73.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.876 -173.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -86.08 153.17 22.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.113 -175.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -73.91 -30.84 29.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.058 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -134.66 162.72 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.932 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.48 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.03 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 29' ' ' VAL . 24.4 m -70.29 -39.03 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.056 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.78 -51.24 67.86 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 9.6 pt-20 -61.15 -39.11 88.85 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.811 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 49.1 tptt -54.79 -44.44 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.044 0.449 . . . . 0.0 111.471 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 25' ' ' THR . 48.0 t -70.25 -35.64 63.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.379 0.609 . . . . 0.0 110.42 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.1 m-30 -68.89 -30.95 69.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.318 177.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.44 -47.22 87.03 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.065 172.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -65.54 -30.14 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.596 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.62 -55.33 6.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.325 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.27 89.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.513 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.37 -39.51 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.605 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.71 -38.24 70.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.954 0.407 . . . . 0.0 110.828 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.782 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 31.1 m-80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.51 11.03 26.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.533 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.4 129.73 62.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.157 0.504 . . . . 0.0 111.411 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -136.54 86.93 2.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.238 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.61 -172.13 31.92 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.793 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.9 107.05 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.72 116.13 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 111.307 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -134.37 149.2 50.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.65 133.92 46.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.847 0.356 . . . . 0.0 110.689 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -97.06 115.62 27.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.671 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.027 0.441 . . . . 0.0 110.689 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.9 -68.11 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.208 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -82.99 -1.25 52.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 46.8 mmtm 61.5 32.53 18.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.325 0.583 . . . . 0.0 110.129 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 ' HB3' ' A' ' 4' ' ' LYS . 7.7 p -108.26 139.63 42.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.023 -174.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -101.16 145.03 29.32 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -138.04 124.18 20.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.567 0.222 . . . . 0.0 110.8 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 m -99.08 108.62 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.745 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.8 m -91.82 98.23 11.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.381 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.27 1.32 6.39 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 171.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.81 8.58 72.1 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.729 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.8 m -107.3 27.24 9.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.96 -43.01 89.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.085 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 55.5 t-80 -87.24 120.37 28.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 22.8 m170 67.09 109.61 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.705 0.628 . . . . 0.0 109.833 -170.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -68.79 111.0 4.61 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.222 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 34.6 m80 -81.09 -177.45 6.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.04 -173.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 63' ' ' HIS . 39.7 m80 67.38 -159.99 0.23 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.206 -173.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.402 ' H ' ' HB3' ' A' ' 64' ' ' HIS . 1.7 mpt? -71.55 114.67 9.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.8 0.333 . . . . 0.0 110.801 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -84.42 99.67 10.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.703 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.79 5.8 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.567 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.67 153.43 35.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.24 0.543 . . . . 0.0 111.248 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.5 70.21 0.86 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.645 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.568 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 1.5 mpt? -55.45 132.16 47.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 173.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.633 ' HA ' ' HB3' ' A' ' 148' ' ' ARG . 11.1 m -82.08 97.81 8.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.245 0.545 . . . . 0.0 111.312 -172.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 m -87.11 153.31 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.604 ' HB2' HG22 ' A' ' 117' ' ' VAL . 10.4 mt -100.54 153.16 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.865 174.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -109.87 113.42 26.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.923 172.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.598 ' HB ' HG22 ' A' ' 144' ' ' VAL . 1.3 m -99.36 127.19 52.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -129.46 179.42 5.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 4.3 m-20 62.84 23.04 13.76 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -171.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 82' ' ' THR . 19.4 tp -68.55 124.19 22.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.608 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -115.79 79.08 1.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -168.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.52 ' C ' ' HD2' ' A' ' 81' ' ' ARG . 3.6 m-85 60.91 170.14 0.1 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.174 171.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HD2' ' C ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER 45.19 11.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 170.005 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.619 HG21 HD11 ' A' ' 78' ' ' LEU . 13.8 m -80.21 109.34 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.663 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.797 ' O ' ' HB ' ' A' ' 86' ' ' THR . 6.0 t -84.02 147.02 50.05 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.96 -57.31 2.44 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.439 2.76 . . . . 0.0 113.74 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.73 -23.22 67.07 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.624 0.25 . . . . 0.0 111.267 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.797 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -54.58 -50.7 67.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.894 174.088 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 22.9 mt -70.49 -43.71 69.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.739 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 -38.82 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.727 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 42.8 ttm180 -60.28 -45.46 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.318 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 86' ' ' THR . 2.8 t -73.67 -42.99 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -176.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.664 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 61.4 m-85 -69.79 -34.89 74.34 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -65.7 -16.83 64.13 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.007 0.432 . . . . 0.0 111.463 -176.68 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.33 -41.01 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.295 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.503 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 83.3 m-85 -84.46 -43.69 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.609 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -147.95 179.94 24.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.364 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -79.49 92.67 5.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.452 0.167 . . . . 0.0 111.053 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.14 131.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.126 0.488 . . . . 0.0 109.782 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.52 -53.88 1.04 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.639 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.12 143.44 50.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.667 0.27 . . . . 0.0 110.67 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 117' ' ' VAL . 13.2 m -129.59 142.93 42.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -135.9 122.68 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.508 HD13 HG22 ' A' ' 82' ' ' THR . 59.9 mt -123.82 94.89 45.27 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.65 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.608 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 54.8 Cg_endo -97.11 -170.81 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.593 2.862 . . . . 0.0 113.827 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.817 ' HD2' ' HA2' ' A' ' 113' ' ' GLY . 36.7 ttm180 73.02 -43.54 0.57 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.389 1.076 . . . . 0.0 112.622 175.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -87.14 135.77 33.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.921 0.391 . . . . 0.0 111.242 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -143.66 -48.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.496 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.85 -61.62 1.36 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.954 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.4 t -171.93 156.69 4.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.01 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -133.72 146.89 51.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.054 0.454 . . . . 0.0 111.618 -176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' H ' ' CD ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -75.86 -26.93 57.56 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.332 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 p -98.69 -174.57 2.83 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.198 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.02 157.28 17.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.817 ' HA2' ' HD2' ' A' ' 104' ' ' ARG . . . -101.73 176.27 26.04 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.428 -0.892 . . . . 0.0 112.677 -177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.608 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 52.0 p90 -145.0 151.81 39.16 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.518 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -138.37 161.42 36.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 111.449 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -122.69 140.57 52.72 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.738 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.604 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.9 m -134.09 122.56 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.485 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -93.83 116.12 28.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.276 -172.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.568 ' O ' ' HB3' ' A' ' 70' ' ' MET . 49.2 m-85 -98.33 168.46 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 111.404 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -64.06 -62.32 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.996 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.606 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 34.7 t70 -137.22 172.14 13.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.862 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.977 ' HD2' ' HA3' ' A' ' 150' ' ' GLY . 51.6 tttm -55.68 -34.3 64.91 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.304 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.606 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.9 ptp180 -57.0 -35.55 69.34 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.003 0.43 . . . . 0.0 111.177 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 12.6 m-20 -78.35 -36.75 45.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.477 0.656 . . . . 0.0 109.819 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.37 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.321 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 51.8 mt-10 -64.25 -49.91 70.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.697 0.284 . . . . 0.0 110.534 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 1.7 t70 -53.96 -39.02 65.59 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.848 0.832 . . . . 0.0 109.525 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.58 8.72 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.285 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.596 ' HB3' ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -64.27 -29.63 70.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 -174.113 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.34 -48.89 25.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.517 . . . . 0.0 110.193 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.37 -48.51 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.523 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.664 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 30.6 tpp -69.25 -20.21 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.454 -172.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.82 84.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 131.3 9.38 2.67 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.855 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.663 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.12 127.5 38.7 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 122.966 -0.138 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.542 HG22 ' HG3' ' A' ' 141' ' ' GLU . 15.0 t -98.25 98.32 7.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.416 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.559 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -79.49 -18.01 52.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -177.13 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.559 ' N ' HD13 ' A' ' 137' ' ' LEU . 31.3 t70 -153.09 -70.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -147.56 28.94 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.56 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.665 ' HD3' ' HB3' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -160.64 133.87 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.783 0.433 . . . . 0.0 110.184 -178.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.6 mp0 -69.58 115.72 9.15 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -59.73 136.34 57.97 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.93 90.51 7.92 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.598 HG22 ' HB ' ' A' ' 75' ' ' VAL . 24.4 t -102.13 131.58 49.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.196 -170.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -131.24 176.72 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.331 -171.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.589 ' HE2' ' HG2' ' A' ' 129' ' ' MET . 16.1 mmt -80.29 117.66 21.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.003 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.48 -38.95 11.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 110.817 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ARG . . . . . 0.633 ' HB3' ' HA ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -101.38 144.8 29.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.317 176.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -66.14 120.8 13.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.977 ' HA3' ' HD2' ' A' ' 122' ' ' LYS . . . -70.2 167.07 49.75 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 175.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.654 ' HB3' ' O ' ' A' ' 150' ' ' GLY . 40.6 ttt180 78.57 122.23 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -173.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 10.2 Cg_endo -51.98 123.84 13.36 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.167 2.578 . . . . 0.0 112.621 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 16.2 Cg_exo -68.6 75.12 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.015 2.476 . . . . 0.0 111.592 175.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 157' ' ' HIS . 9.9 t70 -145.48 142.09 28.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.28 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.5 m -76.2 -15.1 60.11 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -172.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.62 18.75 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.334 0.587 . . . . 0.0 111.021 178.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 154' ' ' ASP . 28.2 m80 -133.37 106.43 7.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.429 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.031 -179.767 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 20.4 ttt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -85.39 103.9 14.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.411 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 20.1 m-85 -97.42 137.25 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.607 176.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.715 ' HB3' HG22 ' A' ' 51' ' ' THR . 34.7 ttmt -110.87 142.97 42.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.53 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.1 tp -110.52 120.99 44.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.247 175.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.95 99.67 9.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 12' ' ' LEU . 5.0 mp -80.41 99.6 8.05 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -96.04 33.05 1.78 Allowed 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -74.2 162.28 54.14 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.237 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -87.01 -25.08 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.063 0.458 . . . . 0.0 109.895 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -92.3 -13.68 29.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.089 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 7' ' ' LEU . 19.3 tp -164.93 121.93 1.54 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.197 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.5 tttm -114.7 115.05 26.47 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 171.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.489 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.92 157.27 27.2 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.163 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -127.57 106.09 8.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -133.42 163.35 29.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.506 0.193 . . . . 0.0 110.755 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 HG22 ' HB2' ' A' ' 4' ' ' LYS . 67.2 p -124.1 169.2 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.628 0.251 . . . . 0.0 111.171 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -149.1 151.88 35.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.077 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.3 97.89 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.27 137.8 47.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.233 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -84.74 -40.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 33.6 m-20 -106.24 157.44 17.58 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -38.7 81.74 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.93 -38.56 91.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.784 175.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 22' ' ' ASP . 26.3 m -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 110.404 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.21 -49.77 58.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.246 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 10.2 pt-20 -64.36 -26.45 68.48 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.46 -176.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.21 -50.7 72.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.324 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.3 -40.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.568 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-30 -64.36 -31.58 72.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.261 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -72.49 -35.02 68.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.97 -48.34 74.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.5 t80 -60.65 -47.95 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.15 -49.49 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.407 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.44 -38.99 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.601 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -86.13 -12.29 50.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.14 24.55 24.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.966 170.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.522 HG21 ' HA3' ' A' ' 9' ' ' GLY . 2.9 p -109.97 136.78 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.106 0.479 . . . . 0.0 111.165 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.26 141.03 34.0 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.28 -163.94 17.19 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 119.566 -1.302 . . . . 0.0 112.859 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.52 98.92 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.376 -0.412 . . . . 0.0 109.961 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -68.7 100.04 1.09 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.216 0.531 . . . . 0.0 110.498 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.92 112.68 21.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.58 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 29.6 t80 -100.44 128.31 46.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -97.57 115.76 28.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.4 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 3.5 p-10 -77.92 -14.1 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.47 -174.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.32 -58.05 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -93.07 0.04 57.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.575 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 61.26 45.23 9.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 4' ' ' LYS . 28.7 p -119.55 125.99 50.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.853 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 64.6 m-85 -90.63 145.25 24.99 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -136.06 122.66 20.91 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.85 104.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 172.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -89.06 100.27 13.08 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.784 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 45.6 tt0 -95.1 145.27 25.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.148 -178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.49 46.52 2.52 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.193 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 t -106.89 15.78 25.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.891 0.377 . . . . 0.0 110.812 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -112.48 -65.37 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.184 -0.323 . . . . 0.0 110.97 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.5 m80 61.13 -164.37 0.24 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.647 0.592 . . . . 0.0 110.756 -176.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -123.82 139.44 53.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -156.56 119.88 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.902 0.382 . . . . 0.0 111.857 -175.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 25.9 m80 69.5 25.97 5.25 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.684 172.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -87.21 95.27 9.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.42 106.2 10.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.679 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -100.12 135.73 41.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.703 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 70' ' ' MET . 29.9 m -122.72 154.36 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.018 0.437 . . . . 0.0 111.244 -177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -97.4 -68.69 0.79 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.42 19.79 5.62 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.698 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.45 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 1.6 mpt? -69.46 101.87 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.148 0.499 . . . . 0.0 110.761 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.9 p -72.02 127.82 33.75 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.317 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 11.8 m -105.17 146.67 28.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.535 -176.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.786 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -113.25 146.9 38.57 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -112.8 117.03 31.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.119 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -103.0 129.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 173.752 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -130.84 170.37 14.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.188 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.1 m120 65.67 24.49 11.59 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -172.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD11 HG21 ' A' ' 82' ' ' THR . 35.5 tp -68.74 141.78 55.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.363 -172.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 36.2 p -67.7 142.37 56.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -77.33 14.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.401 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -127.83 12.33 6.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.966 178.73 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 78' ' ' LEU . 85.0 m -70.03 128.43 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.29 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.739 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.6 m -99.85 152.32 37.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.681 ' HA ' HD12 ' A' ' 102' ' ' ILE . 52.8 Cg_exo -52.06 -45.39 39.22 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.092 2.528 . . . . 0.0 113.158 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.453 . . . . 0.0 110.02 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.739 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -52.47 -54.52 31.3 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.07 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 25.7 mt -75.36 -43.37 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.34 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -55.51 -42.96 75.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HE ' ' HB3' ' A' ' 89' ' ' ARG . 8.3 ttp180 -51.29 -46.28 62.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.738 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 86' ' ' THR . 3.6 t -74.71 -49.89 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.33 . . . . 0.0 111.166 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' HD2' ' O ' ' A' ' 87' ' ' LEU . 68.5 m-85 -63.75 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 -68.62 -7.33 32.02 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 111.595 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -75.99 -43.28 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.257 0.551 . . . . 0.0 109.786 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -83.24 -36.53 24.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.074 -173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -149.86 175.67 28.88 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.965 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -85.38 100.81 12.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.092 0.472 . . . . 0.0 110.81 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.7 p -96.44 134.33 34.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.263 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.4 -36.32 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.207 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -146.03 156.66 43.63 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.611 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 3.4 m -123.13 -55.91 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.188 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.457 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 80.9 t80 67.93 89.92 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.456 0.646 . . . . 0.0 110.808 -175.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.708 HG12 ' HB1' ' A' ' 115' ' ' ALA . 43.3 mt -103.22 99.01 13.22 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.608 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 101' ' ' TYR . 74.0 Cg_endo -90.11 134.59 2.15 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.043 2.495 . . . . 0.0 112.761 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.517 ' NH2' ' HA ' ' A' ' 83' ' ' SER . 5.3 mpt_? -106.21 101.1 10.6 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -76.71 97.69 4.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.084 0.468 . . . . 0.0 110.484 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.768 ' HA ' ' HG2' ' A' ' 110' ' ' GLU . 3.6 ppt_? -130.09 133.7 46.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.141 177.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.727 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 3.6 t80 157.88 -51.51 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 124.601 1.188 . . . . 0.0 108.468 171.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 109' ' ' LYS . 23.5 p -139.8 133.19 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.818 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER 73.68 -67.28 0.27 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.521 0.513 . . . . 0.0 110.974 177.448 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.768 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 51.6 mt-10 62.59 -77.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.409 0.684 . . . . 0.0 111.752 -178.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.0 m 69.88 -75.5 0.07 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.453 0.701 . . . . 0.0 112.037 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -135.23 158.76 43.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.942 0.401 . . . . 0.0 111.425 -172.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -100.64 142.32 15.77 Favored Glycine 0 N--CA 1.441 -1.002 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -141.71 156.71 45.61 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.708 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -145.0 154.53 42.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.924 0.392 . . . . 0.0 111.157 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.42 164.6 13.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.472 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -144.99 135.5 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 171.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -118.62 113.77 21.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 110.975 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.501 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 72.0 m-85 -99.31 168.21 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -67.28 -44.09 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 110.725 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.673 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.9 t70 -148.28 170.64 17.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.389 -177.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.584 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 61.7 tttp -59.2 -28.05 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.673 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 13.5 ptm180 -50.75 -46.79 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.679 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.668 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.5 m-20 -79.39 -26.76 41.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -80.36 -35.61 35.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.007 -174.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.604 ' O ' ' HE3' ' A' ' 129' ' ' MET . 34.4 mm-40 -63.37 -48.19 78.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.4 -37.28 80.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.4 -53.13 13.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.869 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.604 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -64.48 -33.39 75.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.878 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.68 -42.79 73.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.77 -53.09 11.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.472 -173.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.624 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 62.3 mtp -89.46 -0.81 57.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.413 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 32.2 t70 -75.12 88.37 2.44 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 169.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.469 ' C ' ' HB3' ' A' ' 141' ' ' GLU . . . 111.63 38.05 1.5 Allowed Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.837 -168.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -125.41 114.32 18.69 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 122.549 0.339 . . . . 0.0 110.963 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.735 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 0.1 OUTLIER -82.54 124.68 39.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.089 0.471 . . . . 0.0 111.933 -177.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.93 -13.5 21.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.416 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.53 ' N ' HD13 ' A' ' 137' ' ' LEU . 23.2 t70 -160.92 -75.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.327 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -133.11 14.17 4.9 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.888 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.735 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 16.2 tpp180 -145.4 128.52 16.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.819 -0.191 . . . . 0.0 110.545 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.575 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 2.5 mp0 -71.81 104.73 3.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 167.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.2 mm? -53.41 143.95 17.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.137 0.494 . . . . 0.0 111.96 -174.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 1.9 mmp_? -96.71 100.28 11.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 170.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.413 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 47.7 t -103.14 108.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.49 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -113.14 147.91 36.41 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.139 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 5.2 tpt -63.75 117.73 7.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.32 52.96 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.381 . . . . 0.0 111.428 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 58.38 -155.26 0.35 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.693 176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -108.29 115.56 30.35 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.261 0.553 . . . . 0.0 111.141 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -85.99 59.88 4.67 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 174.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -163.51 159.73 17.77 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -175.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.19 157.55 59.28 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.193 1.929 . . . . 0.0 110.278 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -47.84 110.21 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.2 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.868 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.5 m 65.74 17.34 10.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.176 173.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -116.01 -23.53 8.48 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.617 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -118.33 22.96 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.231 0.539 . . . . 0.0 110.422 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.768 178.178 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.561 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 46.8 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.649 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 28.4 tt0 -76.57 110.47 11.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -96.82 138.45 34.35 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.656 ' HB3' HG22 ' A' ' 51' ' ' THR . 24.4 ttmt -107.39 141.34 38.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.06 0.457 . . . . 0.0 111.707 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 30' ' ' PHE . 53.5 tp -108.01 124.4 50.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.889 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.6 mm -100.85 106.7 19.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 12' ' ' LEU . 5.0 mp -87.76 119.56 28.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.119 0.485 . . . . 0.0 110.157 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -116.41 47.89 1.35 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.757 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -77.66 179.72 50.64 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.615 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 42.0 mmtm -68.24 -46.93 69.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 109.978 176.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 m -105.92 -44.94 4.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.857 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -95.04 106.66 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.624 -174.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 53.0 mtpt -128.26 97.47 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.868 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.57 -176.02 22.39 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.2 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -109.9 153.27 24.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 t -163.52 158.35 20.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HB2' ' A' ' 4' ' ' LYS . 73.4 p -140.07 159.22 42.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.334 0.587 . . . . 0.0 111.451 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.498 HG22 ' CE1' ' A' ' 30' ' ' PHE . 13.7 t -146.83 129.07 15.71 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.817 169.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 44.6 mt-10 -77.23 96.02 4.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.559 0.695 . . . . 0.0 109.458 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.598 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -107.64 146.02 32.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.556 -173.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 m -75.91 -31.14 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 9.0 m-20 -129.21 159.88 34.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.822 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.12 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.032 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.42 -41.52 94.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.644 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 8.7 m -57.77 -44.41 86.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.373 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.77 63.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.735 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.83 -35.7 75.26 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.956 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 32.3 mmmt -62.31 -39.17 92.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 25' ' ' THR . 28.2 t -73.67 -38.0 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.334 0.588 . . . . 0.0 110.379 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE1' HG22 ' A' ' 18' ' ' THR . 20.3 m-30 -67.51 -30.86 70.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.124 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.3 mttt -72.83 -34.2 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.886 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -61.39 -46.88 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.88 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HD2' HD21 ' A' ' 7' ' ' LEU . 8.7 t80 -63.13 -46.92 85.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.221 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.98 75.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.543 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -64.1 -35.74 81.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.48 -32.65 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.468 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.549 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.8 m-80 -88.74 -12.28 42.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.756 0.313 . . . . 0.0 111.261 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 31.88 12.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.33 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.494 HG11 HD23 ' A' ' 7' ' ' LEU . 3.7 p -119.44 128.39 75.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.169 0.509 . . . . 0.0 110.957 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -128.61 84.94 2.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.71 -179.41 22.87 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.272 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.69 113.12 8.39 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -71.56 117.15 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 p -127.54 114.12 17.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.306 173.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -99.31 125.17 44.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.1 0.476 . . . . 0.0 110.32 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.56 115.41 30.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.41 -37.41 71.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.07 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 111.533 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -104.22 -5.28 22.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.647 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.0 mmtm 58.47 39.21 25.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.367 0.603 . . . . 0.0 110.503 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.656 HG22 ' HB3' ' A' ' 4' ' ' LYS . 13.4 p -113.95 136.08 53.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.861 -175.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.2 m-85 -102.62 128.7 49.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.405 173.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 m -116.87 124.53 49.7 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.512 0.196 . . . . 0.0 110.64 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.43 104.57 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 172.324 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 m -86.49 96.85 10.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.892 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 9.4 tp10 -88.49 -22.05 23.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.77 123.65 5.07 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.321 -0.854 . . . . 0.0 113.766 170.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.3 m -101.35 -7.24 23.14 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 168.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -84.24 113.15 20.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.586 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -152.86 129.84 11.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.013 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -134.03 126.81 30.97 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.007 0.432 . . . . 0.0 110.343 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -154.5 94.48 1.7 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.801 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.52 111.34 9.4 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.16 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -129.51 112.72 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.194 0.521 . . . . 0.0 111.378 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.8 ptp -113.72 -21.22 10.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.396 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 68.76 179.76 0.24 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.773 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.57 88.46 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.635 0.731 . . . . 0.0 109.951 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -79.83 126.59 31.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.214 -173.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.79 145.13 18.12 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.527 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 46.3 mtm -105.38 149.77 25.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.887 0.375 . . . . 0.0 111.375 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m -92.11 118.82 31.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 118' ' ' ARG . 22.8 m -95.39 133.69 39.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.41 0.624 . . . . 0.0 112.526 -172.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -106.08 152.99 22.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.596 169.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.628 ' HD3' ' HB2' ' A' ' 114' ' ' PHE . 1.2 tmmt? -125.67 111.35 14.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 144' ' ' VAL . 1.5 m -86.26 138.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 11.6 t70 -130.51 173.15 11.13 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 58.85 25.76 14.0 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.726 0.774 . . . . 0.0 109.565 -173.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD11 HG21 ' A' ' 82' ' ' THR . 44.4 tp -80.95 148.95 29.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.198 -173.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 138' ' ' ASP . 3.8 p -73.59 156.39 38.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.167 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -78.58 -22.59 46.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.316 0.579 . . . . 0.0 110.071 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HD3' ' OD1' ' A' ' 138' ' ' ASP . 13.5 ptm180 -83.42 6.13 21.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.78 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 102' ' ' ILE . 14.8 m -70.28 119.95 15.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.745 0.307 . . . . 0.0 111.401 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.813 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.4 m -94.0 152.52 40.53 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.09 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.512 ' HA ' HD12 ' A' ' 102' ' ' ILE . 9.7 Cg_endo -53.79 -45.91 37.58 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.004 2.469 . . . . 0.0 113.061 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.61 -25.46 63.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.813 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.9 m -54.66 -52.13 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.215 177.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HE1' ' A' ' 91' ' ' PHE . 15.3 mt -71.36 -43.68 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.075 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -55.92 -44.93 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.517 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -53.81 -42.86 68.86 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.564 0.54 . . . . 0.0 111.571 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 86' ' ' THR . 4.6 t -74.21 -53.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.008 0.433 . . . . 0.0 110.987 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' HE1' HD22 ' A' ' 87' ' ' LEU . 50.6 m-85 -64.96 -31.98 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -7.51 40.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.696 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -75.45 -34.39 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.22 0.534 . . . . 0.0 109.844 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.42 ' HD2' ' HA ' ' A' ' 91' ' ' PHE . 51.3 m-85 -83.05 -36.55 24.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.744 -174.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -166.49 -170.69 31.71 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.218 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -82.9 98.89 9.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.738 0.304 . . . . 0.0 111.173 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.9 p -94.17 127.04 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.21 -22.07 7.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.326 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.3 119.25 7.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.135 0.467 . . . . 0.0 111.54 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.465 HG12 HG13 ' A' ' 117' ' ' VAL . 29.7 m -115.65 146.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.065 0.46 . . . . 0.0 110.529 174.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.517 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 90.7 t80 -135.54 112.17 10.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.584 HD13 HG22 ' A' ' 82' ' ' THR . 47.0 mt -118.26 108.96 41.18 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.97 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.96 -172.36 0.97 Allowed 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.472 2.115 . . . . 0.0 111.673 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -153.63 -60.88 0.14 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.116 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -142.31 109.94 5.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.854 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.587 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -171.38 -34.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.004 -179.367 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -89.86 104.42 16.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.411 -172.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.5 p 48.16 43.96 18.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.615 0.766 . . . . 0.0 112.938 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt 64.21 -78.84 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.371 0.668 . . . . 0.0 110.817 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.3 92.28 0.41 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.4 m -82.05 126.63 32.22 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.271 0.558 . . . . 0.0 110.567 -174.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -67.56 150.24 49.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.747 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.05 89.96 1.29 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.065 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.628 ' HB2' ' HD3' ' A' ' 74' ' ' LYS . 52.6 p90 -143.18 148.82 37.14 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.456 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -145.75 163.5 34.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.517 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 61.5 m-85 -115.13 140.97 48.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.024 0.44 . . . . 0.0 110.725 -178.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.465 HG13 HG12 ' A' ' 100' ' ' VAL . 27.3 t -135.47 120.88 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.22 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' A' ' 70' ' ' MET . 86.2 mtt180 -110.64 121.08 44.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.628 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.8 m-85 -101.71 168.22 9.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.502 176.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -62.53 -53.47 54.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.79 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 32.3 t70 -132.13 168.72 17.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.957 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.588 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 55.2 tttp -60.48 -27.71 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.104 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.79 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.0 ptt180 -55.39 -41.7 73.01 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.011 0.434 . . . . 0.0 110.648 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.635 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 12.6 m-20 -78.86 -28.21 44.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.353 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.95 -38.65 36.59 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.32 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.588 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 43.7 mt-10 -64.58 -42.73 95.43 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 110.226 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.45 -42.15 77.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.89 -54.17 5.82 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.238 -173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -55.87 -38.58 70.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -174.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.483 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 15.8 t70 -72.05 -49.1 39.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.033 0.444 . . . . 0.0 110.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.4 62.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.291 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.846 ' HB3' HG21 ' A' ' 144' ' ' VAL . 86.4 mmm -87.27 -7.45 57.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.355 -176.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 13.46 0.71 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 122.781 1.276 . . . . 0.0 110.093 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.625 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . -161.22 34.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.655 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.594 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.62 130.37 52.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.668 0.27 . . . . 0.0 111.21 -176.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.842 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 10.0 t -96.88 102.87 14.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.659 0.266 . . . . 0.0 110.334 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.672 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.8 OUTLIER -89.58 -10.45 46.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.18 0.514 . . . . 0.0 110.348 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.453 ' HB3' HG21 ' A' ' 79' ' ' THR . 19.2 t70 -155.61 -75.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.765 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.53 15.73 2.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.592 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.842 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -154.89 176.75 12.1 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.625 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 33.4 mt-10 -101.08 117.41 34.97 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.148 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -58.78 138.34 57.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.615 178.554 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.651 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 20.9 tpp180 -92.92 80.65 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.846 HG21 ' HB3' ' A' ' 132' ' ' MET . 59.0 t -83.15 109.71 17.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.41 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -108.15 153.99 22.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.801 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 117.69 9.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -105.62 14.03 29.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -172.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -92.39 -58.02 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.085 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -149.39 133.53 17.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.87 0.367 . . . . 0.0 110.128 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.88 153.5 8.38 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.445 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.462 ' HA ' ' HD3' ' A' ' 152' ' ' PRO . 99.6 mtt180 -92.08 135.25 27.37 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.941 0.37 . . . . 0.0 110.272 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 151' ' ' ARG . 20.1 Cg_exo -66.11 122.75 10.35 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.644 2.229 . . . . 0.0 111.34 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.58 -37.14 98.12 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.838 2.359 . . . . 0.0 112.008 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -146.79 155.95 42.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.845 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.9 m -80.47 -33.48 36.63 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -173.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -164.34 66.85 0.15 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.407 0.622 . . . . 0.0 112.244 -173.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -124.92 27.56 6.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.003 0.43 . . . . 0.0 110.597 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.228 179.659 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 50.9 tpp . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.86 0.362 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.22 96.9 8.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.128 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 44.0 m-85 -82.27 141.55 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.654 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -106.19 117.84 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.817 -177.082 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 30' ' ' PHE . 47.6 tp -92.47 122.84 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -102.26 103.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.447 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 13.2 mt -83.09 124.88 30.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.216 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -136.88 115.12 11.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.914 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.04 -171.51 41.86 Favored Glycine 0 N--CA 1.436 -1.35 0 C-N-CA 118.926 -1.607 . . . . 0.0 113.529 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' HG3' ' OE1' ' A' ' 56' ' ' GLU . 41.8 mtpt -49.08 101.69 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.329 0.652 . . . . 0.0 112.058 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m 64.32 9.72 5.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.31 92.88 3.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.795 -0.566 . . . . 0.0 110.623 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.671 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 57.2 mttm -141.88 89.99 2.23 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.568 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.738 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.47 179.49 26.21 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.83 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -128.56 132.38 48.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 t -144.31 170.84 15.22 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.411 HG23 ' HE3' ' A' ' 4' ' ' LYS . 6.0 p -132.36 171.33 13.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.932 0.396 . . . . 0.0 111.025 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -153.41 147.07 25.12 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 172.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -83.03 96.8 8.46 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.37 140.3 52.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.103 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.3 -22.17 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.351 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -144.45 156.26 44.11 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.874 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.76 74.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.511 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -69.55 -46.12 67.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.312 0.577 . . . . 0.0 110.185 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.82 88.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.753 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -62.28 -31.88 72.52 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.731 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -65.41 -36.71 84.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.089 0.471 . . . . 0.0 110.99 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 t -76.22 -41.99 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.18 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.56 ' HB3' HD13 ' A' ' 5' ' ' LEU . 23.3 m-30 -61.89 -36.97 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.21 -36.64 83.56 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.47 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -63.05 -47.71 81.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.97 -48.81 80.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -50.35 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.575 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.12 -39.84 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.295 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.73 -36.82 81.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.13 -34.44 59.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.0 8.67 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.163 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -102.98 94.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.836 0.826 . . . . 0.0 110.697 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -101.21 120.03 39.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.489 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.1 -173.11 18.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.209 -174.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -83.18 125.44 31.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -92.58 112.79 24.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.104 0.478 . . . . 0.0 111.731 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.528 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 25.1 p -106.29 144.15 33.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.513 172.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 51' ' ' THR . 60.1 t80 -130.49 131.92 45.38 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.816 0.341 . . . . 0.0 110.679 -177.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.11 115.35 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.735 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -66.38 -30.41 70.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.085 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.73 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.759 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 ' OG1' ' A' ' 51' ' ' THR . 1.6 t -113.5 1.87 15.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.388 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 59.1 40.42 21.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.318 0.58 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 4' ' ' LYS . 18.2 p -106.24 139.74 40.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.125 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HD2' ' HE2' ' A' ' 30' ' ' PHE . 48.0 m-85 -113.28 112.55 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.395 171.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.528 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 13.4 m -98.81 118.92 36.65 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.5 p -97.25 104.77 16.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 m -95.41 96.85 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.045 -170.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE1' ' HG3' ' A' ' 10' ' ' LYS . 4.1 tm-20 -104.79 102.09 11.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.15 147.57 18.61 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.631 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.7 p -67.58 120.56 14.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.964 0.411 . . . . 0.0 110.827 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -96.6 -47.81 5.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -160.99 144.47 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.999 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -103.36 88.67 3.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.542 0.687 . . . . 0.0 109.472 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -129.29 115.67 17.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.979 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -142.83 116.25 9.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.924 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -96.52 114.15 25.78 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.496 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 70.3 mtm -93.31 93.41 8.18 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.09 132.31 41.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.214 -173.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.54 130.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.982 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.29 143.97 29.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.774 -174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.05 170.81 46.74 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.014 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.498 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 3.6 mpp? -90.88 169.14 11.17 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m -93.19 88.49 6.07 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 37.6 m -81.3 129.36 34.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -174.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.851 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.9 mm? -90.25 156.65 18.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.047 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 1.003 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 9.6 tmtt? -125.62 106.52 9.81 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.5 m -94.21 137.09 23.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 5.7 t70 -131.86 -179.12 5.2 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.27 -175.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 4.3 m-20 70.04 -66.75 0.26 Allowed 'General case' 0 CA--C 1.52 -0.181 0 O-C-N 124.167 0.917 . . . . 0.0 108.615 -170.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' OG1' ' A' ' 82' ' ' THR . 11.7 tp 58.11 -174.95 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.938 0.774 . . . . 0.0 111.545 170.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.582 HG21 ' HB3' ' A' ' 138' ' ' ASP . 21.1 p -108.59 -8.7 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.843 -0.536 . . . . 0.0 110.773 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 69.9 -30.62 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.553 0.741 . . . . 0.0 111.049 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 79' ' ' THR . 6.3 ptm180 -84.58 6.01 25.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 173.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.566 ' OG1' ' HG ' ' A' ' 78' ' ' LEU . 5.3 m -62.38 151.0 38.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.431 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.583 ' O ' HG22 ' A' ' 86' ' ' THR . 23.2 t -130.98 143.26 48.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.71 ' HA ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -43.63 -51.59 6.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.943 3.095 . . . . 0.0 114.302 -175.596 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.59 -29.96 71.14 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.1 t -62.54 -39.09 92.49 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.668 0.271 . . . . 0.0 110.41 -176.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.588 HD22 ' HE1' ' A' ' 91' ' ' PHE . 56.9 mt -79.57 -36.55 38.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.67 0.271 . . . . 0.0 110.702 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.641 ' HG2' HG13 ' A' ' 100' ' ' VAL . 20.5 mtm180 -63.28 -29.84 71.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.387 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -71.61 -46.72 58.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 86' ' ' THR . 7.6 t -73.23 -52.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.84 0.352 . . . . 0.0 111.619 -175.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.588 ' HE1' HD22 ' A' ' 87' ' ' LEU . 37.7 m-85 -65.71 -32.34 73.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -61.98 -21.01 64.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 111.406 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.31 -38.53 89.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.429 0.633 . . . . 0.0 110.033 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -83.63 -43.18 15.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.724 -175.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.8 169.56 32.42 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -75.79 98.54 4.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.27 0.535 . . . . 0.0 110.962 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.47 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 6.0 p -90.88 138.76 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.001 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.76 -46.0 3.27 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.868 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -158.5 174.17 15.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.641 HG13 ' HG2' ' A' ' 88' ' ' ARG . 15.5 m -125.79 -28.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 100' ' ' VAL . 86.4 t80 69.62 -74.78 0.08 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.568 0.347 . . . . 0.0 110.825 -177.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.764 HG12 ' HB1' ' A' ' 115' ' ' ALA . 38.7 mt 58.88 99.62 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.73 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -68.62 143.37 56.41 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.208 1.939 . . . . 0.0 110.891 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -94.79 134.77 37.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.26 0.552 . . . . 0.0 111.938 -173.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -76.71 76.66 3.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -169.97 -43.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.103 -172.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -79.3 176.32 9.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.923 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 t -69.81 115.95 9.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.697 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.84 175.07 12.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.159 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -118.17 -28.37 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.637 0.256 . . . . 0.0 111.461 -176.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.1 m -85.37 179.41 7.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.7 0.286 . . . . 0.0 110.844 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -80.5 169.69 17.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.237 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.79 76.69 1.54 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.769 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -94.04 -173.95 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.764 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -143.29 167.11 22.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.327 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -126.79 161.93 27.04 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.313 176.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.851 HG22 ' HB2' ' A' ' 73' ' ' LEU . 12.7 m -141.1 115.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 170.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 15.8 mtm180 -90.81 106.84 18.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -172.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.702 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 4.9 m-85 -97.24 154.77 17.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -54.97 -58.5 7.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.383 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.684 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 24.0 t70 -136.93 166.67 23.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.468 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -57.5 -30.78 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.712 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.684 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.5 ptt180 -54.45 -41.62 69.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.203 0.525 . . . . 0.0 110.362 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.702 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.1 m-20 -79.04 -38.55 36.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.505 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -68.11 -35.79 78.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.319 -174.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.423 ' O ' ' HE3' ' A' ' 129' ' ' MET . 44.4 mt-10 -71.36 -32.55 68.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.62 -42.0 99.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.757 0.789 . . . . 0.0 109.042 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.04 -52.84 6.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.596 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.668 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -62.01 -35.97 80.15 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 -174.138 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.31 -42.23 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 110.161 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -53.5 9.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.507 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.577 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 78.7 mmm -76.87 -4.53 44.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.705 -166.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.516 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 25.6 t70 -72.85 81.49 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.704 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 127.82 11.28 3.28 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.772 -170.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.698 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.86 138.7 31.73 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.113 0.165 . . . . 0.0 111.054 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.685 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 9.7 t -102.32 110.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.859 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -90.11 -7.14 54.48 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.091 0.472 . . . . 0.0 110.971 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.582 ' HB3' HG21 ' A' ' 79' ' ' THR . 27.6 t70 -169.07 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.809 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -144.97 28.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.685 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -148.82 138.31 21.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.72 0.408 . . . . 0.0 110.253 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.704 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 43.9 mt-10 -83.83 112.1 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -58.57 137.29 57.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.563 ' HB3' ' HG3' ' A' ' 153' ' ' PRO . 22.5 mmt180 -90.8 82.0 5.73 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 172.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.48 HG22 HG12 ' A' ' 75' ' ' VAL . 38.5 t -87.92 114.52 26.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.712 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -126.57 148.99 49.68 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.1 ttm -70.6 117.34 12.0 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 1.003 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -69.79 108.03 3.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 110.6 -175.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -102.86 -37.23 7.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.853 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -142.08 26.03 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.879 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 66.73 16.06 65.26 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.656 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 152' ' ' PRO . 34.0 mtp-105 -74.07 142.86 79.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.925 0.393 . . . . 0.0 111.856 -175.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 151' ' ' ARG . 2.6 Cg_exo -77.37 162.03 31.23 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 123.104 2.536 . . . . 0.0 110.598 167.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.563 ' HG3' ' HB3' ' A' ' 143' ' ' ARG . 97.8 Cg_endo -78.9 10.22 2.99 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.504 2.136 . . . . 0.0 112.375 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.21 170.07 16.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.511 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 12.2 p -86.93 -35.11 19.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -176.18 34.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.727 0.299 . . . . 0.0 110.936 -173.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -85.89 93.83 9.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.381 0.61 . . . . 0.0 111.392 -175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.903 177.023 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.404 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 24.9 tt0 53.76 93.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.294 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' O ' ' HA ' ' A' ' 17' ' ' THR . 3.8 m-85 -87.76 147.86 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.557 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.755 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 13.7 tppt? -107.94 127.55 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.899 0.381 . . . . 0.0 110.928 -178.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 30' ' ' PHE . 41.2 tp -97.52 125.27 42.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.946 173.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 15' ' ' GLU . 48.7 mm -106.41 103.2 15.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.5 mp -86.62 99.78 11.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.05 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.712 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.9 t-20 -99.24 48.95 0.95 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -92.3 -163.58 37.9 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.048 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -98.81 127.78 44.83 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m 71.89 -50.0 0.69 Allowed 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.572 0.545 . . . . 0.0 111.252 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 HD22 ' A' ' 7' ' ' LEU . 2.3 tm? -94.87 100.79 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 109.951 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 37.8 mtmm -126.92 107.34 10.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.436 174.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.501 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.64 -174.35 21.62 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.392 -0.909 . . . . 0.0 111.527 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.755 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -148.85 141.87 24.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 174.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -158.02 173.46 16.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.248 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 66.7 p -130.93 154.97 47.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.476 0.655 . . . . 0.0 112.418 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 30' ' ' PHE . 8.8 t -133.55 134.67 43.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.593 170.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.06 72.58 4.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.424 0.631 . . . . 0.0 109.55 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.42 141.39 30.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.902 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.09 -8.71 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 18.4 t70 -150.81 153.57 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.69 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -71.61 -24.42 61.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 32.3 m -71.78 -42.48 67.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 0.0 109.591 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.78 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.354 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 10.7 pt-20 -59.75 -36.33 76.42 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.758 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.85 -33.94 77.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.414 . . . . 0.0 111.169 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.34 -40.95 35.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.272 0.558 . . . . 0.0 110.232 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.631 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.2 m-30 -68.07 -35.83 78.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.192 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -76.19 -21.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.088 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -73.84 -46.24 46.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -60.34 -47.27 86.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.412 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.07 86.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -67.54 -30.02 69.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 111.002 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -72.7 -45.9 56.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.425 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.57 -27.76 64.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.76 31.62 6.27 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.922 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.2 p -111.68 127.17 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.241 0.544 . . . . 0.0 110.994 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -124.37 114.02 18.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.621 176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -144.56 -176.96 19.03 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.849 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.01 120.9 15.6 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.536 0.334 . . . . 0.0 110.131 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -91.54 105.52 17.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.095 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.3 p -115.88 120.96 40.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.126 174.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -111.21 128.22 55.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.059 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -99.77 121.34 41.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.794 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.33 -24.83 60.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.819 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -49.06 29.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 p -91.46 -7.47 50.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.842 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm 61.7 40.31 13.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.1 0.476 . . . . 0.0 110.498 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.653 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.2 p -113.45 126.89 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.019 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -97.32 112.45 24.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 m -101.67 112.24 24.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.3 p -99.94 104.81 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.614 0.721 . . . . 0.0 109.393 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.712 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.2 m -102.49 111.07 23.21 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.526 -173.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.497 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 4.4 tm-20 -91.06 -63.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.946 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.23 -20.95 75.52 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.091 -176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.51 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 58.8 p 52.38 -170.19 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.654 0.782 . . . . 0.0 112.325 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 62.94 21.86 13.11 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.89 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -117.05 131.84 56.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.055 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -164.34 -169.75 1.88 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.362 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.56 156.71 22.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.238 0.542 . . . . 0.0 111.907 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -73.1 -37.26 66.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.496 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.637 ' HB2' ' OD2' ' A' ' 66' ' ' ASP . 9.8 m80 -113.61 -176.55 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 ptp -95.32 24.39 5.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.359 . . . . 0.0 110.773 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.637 ' OD2' ' HB2' ' A' ' 64' ' ' HIS . 1.2 p30 -64.89 -75.24 0.09 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 177.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 m 47.9 -170.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.363 1.065 . . . . 0.0 112.386 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -88.4 -44.37 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.88 104.29 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.883 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -64.73 138.93 58.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.497 HG21 ' HA ' ' A' ' 122' ' ' LYS . 1.1 m -56.23 108.66 0.49 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 0.0 111.75 -167.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.5 m -105.89 149.14 26.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.159 -174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.913 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -115.62 145.66 42.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.218 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -113.59 113.47 25.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.424 HG22 ' HB3' ' A' ' 115' ' ' ALA . 2.0 m -96.78 134.02 36.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.25 175.65 8.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.79 24.85 14.74 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.856 0.836 . . . . 0.0 109.279 -172.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.515 HD11 HG21 ' A' ' 82' ' ' THR . 36.9 tp -84.83 158.72 20.58 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.563 -174.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.443 HG23 ' HD3' ' A' ' 140' ' ' ARG . 25.5 p -101.06 142.81 31.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.992 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -76.23 78.9 3.02 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.751 0.786 . . . . 0.0 109.801 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -174.94 -25.64 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.393 -1.276 . . . . 0.0 107.794 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 78' ' ' LEU . 67.9 m -62.36 109.42 1.34 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.326 -1.307 . . . . 0.0 110.443 174.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.808 ' O ' ' HB ' ' A' ' 86' ' ' THR . 43.6 m -90.62 158.67 42.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.366 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.659 ' HA ' HD12 ' A' ' 102' ' ' ILE . 66.0 Cg_exo -49.52 -46.98 24.39 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.582 2.188 . . . . 0.0 113.362 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.85 -25.64 67.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.808 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.5 m -59.84 -56.36 22.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.388 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.602 HD22 ' HE2' ' A' ' 91' ' ' PHE . 20.8 mt -69.69 -39.26 77.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.06 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -51.53 -50.54 59.81 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.5 ttp85 -51.62 -47.88 63.49 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.859 0.724 . . . . 0.0 112.119 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 86' ' ' THR . 2.5 t -74.81 -45.0 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.733 0.301 . . . . 0.0 111.626 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.602 ' HE2' HD22 ' A' ' 87' ' ' LEU . 51.9 m-85 -71.67 -35.97 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -16.69 61.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.813 0.34 . . . . 0.0 111.772 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -66.28 -39.96 89.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 110.061 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -83.31 -44.52 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.248 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -148.42 -178.84 23.87 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.119 -1.039 . . . . 0.0 112.953 -177.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -83.72 94.66 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.401 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 7.4 p -99.78 132.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.3 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.82 -16.94 7.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.699 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD2' ' HD3' ' A' ' 118' ' ' ARG . 24.5 t70 -153.37 149.24 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 15.7 m -131.35 -51.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.762 0.315 . . . . 0.0 110.749 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.43 ' N ' HG23 ' A' ' 100' ' ' VAL . 30.5 t80 59.85 83.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 84' ' ' PRO . 73.8 mt -95.96 103.98 15.19 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.25 80.82 1.55 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.92 2.414 . . . . 0.0 114.224 -168.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 104' ' ' ARG . 28.0 mtm180 -79.82 -32.97 40.71 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 166.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -108.65 133.3 52.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.705 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER 73.85 152.85 0.13 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.063 0.852 . . . . 0.0 111.001 -177.799 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.526 ' H ' ' HD3' ' A' ' 106' ' ' ARG . 91.5 m-85 70.51 176.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.561 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 t 173.46 155.01 0.11 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.693 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -176.09 81.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 174.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 67.81 -64.35 0.28 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.024 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.5 m -145.6 157.6 43.95 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.97 51.13 2.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.225 0.536 . . . . 0.0 110.347 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.31 34.34 4.89 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.756 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -142.64 144.12 32.65 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.6 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.2 162.09 41.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.349 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 91.6 m-85 -115.48 158.7 22.18 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.73 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -142.86 132.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.432 ' HD3' ' OD2' ' A' ' 99' ' ' ASP . 5.5 mpt_? -113.94 111.41 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.106 0.479 . . . . 0.0 111.018 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.719 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.2 m-85 -94.28 168.56 10.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.281 175.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -66.88 -54.44 22.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -134.87 179.47 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.948 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.586 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 53.7 tttp -64.02 -33.09 74.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.169 -177.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.404 ' HE ' ' CG ' ' A' ' 124' ' ' ASP . 0.9 OUTLIER -52.2 -42.12 63.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.719 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 17.1 m-20 -79.06 -32.73 44.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.353 0.597 . . . . 0.0 110.259 -176.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.429 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -76.55 -38.92 54.25 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.303 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.586 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 32.2 mt-10 -68.92 -42.7 76.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.224 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.54 -36.34 69.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.87 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.6 -53.73 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.244 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.55 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.21 -31.29 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.568 0.223 . . . . 0.0 111.217 -174.038 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.89 -39.03 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.52 -48.4 22.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.57 -177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.751 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 34.8 ttm -89.87 -9.45 48.96 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.63 85.99 0.9 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 118.0 23.22 3.66 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.515 -169.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.751 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -105.26 143.11 33.89 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 122.779 -0.248 . . . . 0.0 111.026 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.3 t -105.7 102.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.648 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.01 -5.21 53.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.384 0.612 . . . . 0.0 110.223 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.447 ' N ' HD13 ' A' ' 137' ' ' LEU . 21.4 t70 -157.03 -66.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.801 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -158.18 25.83 0.41 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.752 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.851 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -161.86 179.02 8.39 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.743 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 29.5 mt-10 -103.86 111.96 24.72 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.994 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.9 mm? -57.99 138.31 56.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.894 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 143' ' ' ARG . 23.9 mmt180 -98.75 85.49 3.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.171 0.51 . . . . 0.0 109.953 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 132' ' ' MET . 19.1 t -87.94 108.47 18.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.032 -176.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -113.78 139.88 48.75 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.859 -176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.606 ' HG2' ' HA3' ' A' ' 150' ' ' GLY . 36.7 ttm -72.33 117.61 14.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.36 156.28 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.836 -170.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 69.83 -69.28 0.17 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.706 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -131.8 87.96 2.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.306 0.574 . . . . 0.0 110.093 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.606 ' HA3' ' HG2' ' A' ' 146' ' ' MET . . . 175.47 120.93 0.62 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 68.43 152.58 0.13 Allowed Pre-proline 0 N--CA 1.463 0.222 0 O-C-N 124.19 0.582 . . . . 0.0 109.557 -172.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.6 110.74 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.302 2.001 . . . . 0.0 112.154 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.54 -166.74 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.656 2.238 . . . . 0.0 111.683 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -86.38 127.42 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.893 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 19.2 m -127.85 9.88 6.44 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -100.0 -2.34 34.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.644 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -82.17 -46.51 13.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.922 0.391 . . . . 0.0 110.534 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.415 -179.517 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -86.43 112.06 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' THR . 9.6 m-85 -101.35 130.36 47.52 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.668 ' HB3' HG22 ' A' ' 51' ' ' THR . 32.4 ttmt -104.67 130.92 52.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.018 0.437 . . . . 0.0 111.344 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 30' ' ' PHE . 54.0 tp -97.76 123.45 41.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -94.94 101.49 12.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.91 HD22 HD23 ' A' ' 12' ' ' LEU . 4.7 mp -81.64 106.61 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -104.79 37.55 2.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.39 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -90.66 172.7 37.67 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.344 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 1.014 ' HD2' ' HA ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -80.25 -33.44 37.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.559 175.699 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -79.91 -30.13 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.055 0.455 . . . . 0.0 111.02 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.91 HD23 HD22 ' A' ' 7' ' ' LEU . 17.0 tp -147.77 124.42 11.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.72 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.2 tttp -126.15 83.9 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.4 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.04 -178.52 24.14 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.016 -1.087 . . . . 0.0 112.475 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.8 mp0 -116.89 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -147.95 156.89 43.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 22.1 p -134.11 163.16 30.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 0.0 112.103 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.4 t -151.42 152.96 33.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.562 174.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.22 94.86 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.0 109.586 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.7 148.53 26.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.059 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.64 -13.35 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.68 155.06 35.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.888 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.27 87.58 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.292 0.37 . . . . 0.0 111.457 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.2 -37.09 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.065 0.459 . . . . 0.0 110.249 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -66.24 -35.32 80.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.188 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -50.78 61.74 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.985 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.3 pt-20 -61.2 -36.7 80.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -51.4 -48.85 62.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.271 0.557 . . . . 0.0 111.189 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.35 -35.18 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.968 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.2 m-30 -65.88 -31.65 72.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.119 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 25.7 mtpp -71.47 -29.21 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.357 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -66.32 -48.79 69.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.253 0.549 . . . . 0.0 109.667 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.481 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.0 t80 -62.05 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.486 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -66.27 -41.47 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -67.52 -35.48 79.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.837 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.34 -35.95 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.25 0.547 . . . . 0.0 110.23 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' CG ' HD22 ' A' ' 12' ' ' LEU . 47.1 m-80 -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.98 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.84 36.37 3.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.324 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.483 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.2 p -121.77 94.65 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-O 121.879 0.847 . . . . 0.0 111.624 174.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -103.33 85.03 2.41 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.71 -169.71 31.27 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.06 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -73.48 111.64 8.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -74.62 107.36 6.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.092 0.472 . . . . 0.0 112.002 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.0 p -115.91 143.3 45.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.726 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -126.72 136.05 51.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 0.0 110.988 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -111.17 125.59 53.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.252 175.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -86.77 -23.17 25.52 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.598 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.86 77.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.1 p -100.85 -2.8 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.319 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 59.93 39.92 19.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.406 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 4' ' ' LYS . 35.7 p -110.44 142.35 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.226 0.536 . . . . 0.0 111.752 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -105.89 145.17 31.61 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 m -132.74 120.05 21.14 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.22 103.5 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 121.22 0.534 . . . . 0.0 109.708 173.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -91.36 96.32 10.46 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.623 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 43.1 tt0 -82.71 131.91 35.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.18 104.56 0.42 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.874 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 1.014 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 19.9 t -60.43 -55.14 37.14 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -176.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -138.24 108.09 6.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.869 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -63.95 -29.43 70.6 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 175.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -101.17 86.12 2.96 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 168.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -60.71 -67.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.502 -172.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -82.1 114.34 20.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.029 0.443 . . . . 0.0 110.245 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -74.82 159.09 32.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.92 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 ptm -98.96 -176.13 3.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.801 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -129.96 -168.28 1.94 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 p -125.9 119.29 54.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.982 0.42 . . . . 0.0 111.436 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 54.14 -153.61 0.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.009 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.19 -58.26 0.67 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.993 -178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.9 mtm -129.8 149.47 51.53 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.685 HG21 ' HA ' ' A' ' 122' ' ' LYS . 2.5 p -88.17 127.51 35.43 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.135 0.493 . . . . 0.0 112.01 -175.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -105.34 131.62 52.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.636 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.858 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -109.08 145.57 35.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.27 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.752 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 18.5 tptp -111.63 113.36 25.7 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.024 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.93 125.11 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -121.39 176.02 5.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.449 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.686 ' HA ' ' HB2' ' A' ' 112' ' ' ARG . 44.3 m-80 62.6 19.87 11.61 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 124.019 0.825 . . . . 0.0 109.052 -172.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 82' ' ' THR . 26.5 tp -62.86 133.09 54.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.654 -174.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 4.2 p -64.47 147.52 52.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.996 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.07 -33.73 76.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.567 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -93.0 29.21 1.89 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.865 0.364 . . . . 0.0 111.863 -175.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.627 HG21 HD11 ' A' ' 78' ' ' LEU . 17.6 m -83.35 118.02 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.424 176.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.617 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.4 p -93.89 153.67 40.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 122.326 -0.234 . . . . 0.0 110.469 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -51.48 -41.57 59.54 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.002 2.468 . . . . 0.0 112.822 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.32 -36.22 79.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.116 0.484 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -58.35 -57.95 10.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.3 -177.116 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.2 mt -64.3 -42.2 96.48 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.172 -175.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -55.9 -51.03 69.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -61.91 -37.64 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.61 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 86' ' ' THR . 13.4 t -73.4 -50.08 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.849 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.609 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 25.3 m-85 -65.5 -34.89 79.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.104 -175.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.5 pt-20 -70.57 1.59 5.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -72.01 -45.06 62.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.016 0.436 . . . . 0.0 110.144 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 70.7 m-85 -84.79 -41.12 16.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.419 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -137.79 -174.17 13.26 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -102.25 94.83 5.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.204 1.002 . . . . 0.0 110.865 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.0 p -88.82 134.57 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.979 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.49 -35.29 1.61 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.449 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.94 110.13 12.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.201 0.501 . . . . 0.0 111.152 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.3 150.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.702 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.05 103.45 4.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.329 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.1 mt -104.15 98.08 13.07 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.5 162.11 43.62 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.248 2.632 . . . . 0.0 113.804 -172.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -82.73 -176.33 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.248 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.511 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 4.3 p30 -70.47 137.63 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.919 175.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.51 -55.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -90.58 -75.13 0.47 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.708 -178.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.2 p -121.89 128.3 51.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.825 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.511 ' HD3' ' HB3' ' A' ' 105' ' ' ASP . 29.2 ttpp -140.58 -37.67 0.45 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.407 . . . . 0.0 110.12 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.23 -43.07 74.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.069 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.7 p -74.86 -67.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.411 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.686 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 5.6 ppt_? -162.16 153.62 18.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.716 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.96 169.93 40.94 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.439 175.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -146.9 154.9 41.84 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 167.24 30.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.857 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.9 m-85 -124.32 146.06 49.04 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.555 178.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.858 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -133.43 138.71 50.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.389 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 97' ' ' VAL . 26.9 ttm180 -117.12 115.44 25.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.0 112.322 -175.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.719 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 56.8 m-85 -96.53 170.76 8.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.627 175.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -70.64 -73.1 0.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.646 0.26 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.903 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 50.6 m-20 -109.21 179.75 4.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.9 0.381 . . . . 0.0 110.347 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.685 ' HA ' HG21 ' A' ' 71' ' ' THR . 46.0 tttm -67.81 -27.01 66.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.903 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 16.2 ptt180 -54.11 -42.93 69.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.904 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.719 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 14.3 m-20 -74.52 -36.41 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.565 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.56 -38.3 59.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.703 -173.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.562 ' O ' ' HE3' ' A' ' 129' ' ' MET . 38.6 mt-10 -62.98 -48.39 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.051 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 58.5 m-20 -59.83 -31.21 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.538 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.38 -54.44 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.647 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.81 -30.9 71.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 -173.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 129' ' ' MET . 30.5 t70 -74.23 -45.2 49.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.171 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.59 -42.86 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.609 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.3 tpp -76.59 -17.58 59.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.629 -172.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.21 91.57 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.598 ' CA ' ' HB3' ' A' ' 141' ' ' GLU . . . 117.99 12.23 7.86 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.305 -170.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.72 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -100.68 126.36 47.2 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 122.996 0.519 . . . . 0.0 111.315 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.54 HG22 ' HG3' ' A' ' 141' ' ' GLU . 17.9 t -92.65 103.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.825 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -81.82 -12.48 58.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.396 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.502 ' N ' HD13 ' A' ' 137' ' ' LEU . 15.9 t70 -162.98 -72.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.324 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -136.38 10.99 4.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.225 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 3.1 tpm_? -146.31 135.89 23.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.886 -0.185 . . . . 0.0 111.077 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.72 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.4 mp0 -68.86 113.91 6.72 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 165.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -55.81 144.99 25.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.222 0.534 . . . . 0.0 111.493 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -100.51 91.24 4.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 132' ' ' MET . 21.4 t -104.23 117.44 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -124.85 162.68 23.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.403 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.39 116.8 9.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 110.254 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.752 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -99.9 174.77 6.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.535 -177.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -98.54 179.96 4.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.825 0.345 . . . . 0.0 110.733 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.533 ' CE2' ' HD3' ' A' ' 153' ' ' PRO . 1.5 t80 -89.1 38.73 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.964 0.411 . . . . 0.0 110.631 -173.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.23 93.93 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.674 -0.694 . . . . 0.0 113.051 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.09 114.96 60.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.3 143.07 75.63 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.669 2.246 . . . . 0.0 112.126 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.533 ' HD3' ' CE2' ' A' ' 149' ' ' TYR . 87.7 Cg_endo -80.61 -22.15 6.79 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.718 2.279 . . . . 0.0 112.102 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.561 ' OD2' ' HB2' ' A' ' 157' ' ' HIS . 17.5 t70 -94.58 167.01 11.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.449 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 25.9 t -133.96 139.81 46.35 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.675 0.274 . . . . 0.0 110.371 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 78.07 -26.68 0.18 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.234 1.014 . . . . 0.0 113.64 172.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.561 ' HB2' ' OD2' ' A' ' 154' ' ' ASP . 34.9 m80 -73.43 94.94 2.14 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.845 0.748 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.725 177.064 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -87.18 102.62 14.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.97 0.414 . . . . 0.0 111.327 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -103.21 140.94 36.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.99 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HB3' HG22 ' A' ' 51' ' ' THR . 26.8 ttmt -118.17 138.08 52.55 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 111.707 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' ' 30' ' ' PHE . 49.7 tp -99.44 119.91 38.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.958 173.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.644 HD13 ' HB3' ' A' ' 15' ' ' GLU . 46.4 mm -98.58 106.89 19.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.819 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.54 100.49 13.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.206 0.527 . . . . 0.0 110.374 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -98.93 51.51 0.97 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -80.89 177.04 54.53 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.241 -171.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -59.53 -41.8 90.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 m -124.89 -39.85 2.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.791 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.819 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -83.46 105.84 14.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.66 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.9 ttmm -120.89 97.12 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.755 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.62 -174.52 21.75 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.764 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.644 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -144.33 135.93 25.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.153 0.501 . . . . 0.0 111.032 174.405 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -138.63 156.13 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.8 p -126.81 152.77 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.098 0.475 . . . . 0.0 111.302 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.434 HG22 ' CE1' ' A' ' 30' ' ' PHE . 11.5 t -140.44 145.85 37.51 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 172.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -88.62 92.16 9.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.386 0.612 . . . . 0.0 109.695 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -108.57 153.38 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.663 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -90.88 -22.63 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.9 t70 -136.01 151.1 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.39 94.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.439 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.78 -25.5 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.22 0.533 . . . . 0.0 110.278 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 28.3 m -73.81 -43.74 57.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.053 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -63.24 -47.09 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.672 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.8 pt-20 -61.51 -34.23 75.15 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.314 -175.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HD2' ' HD2' ' A' ' 31' ' ' LYS . 26.3 mmmt -63.08 -37.87 88.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.155 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.6 -37.64 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.381 0.61 . . . . 0.0 109.94 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.3 m-30 -67.42 -30.7 70.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.045 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.34 -32.91 73.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.62 -30.08 70.28 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.646 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.442 ' HD2' HD21 ' A' ' 7' ' ' LEU . 30.1 t80 -80.88 -43.13 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 109.956 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -64.45 -49.6 70.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.14 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.06 -27.47 68.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.75 -39.94 80.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.563 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 39.4 m-80 -90.25 -14.96 32.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.485 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.23 29.11 11.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.162 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.447 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.1 p -117.28 122.89 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.192 0.52 . . . . 0.0 111.609 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.96 102.34 6.47 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.59 -170.17 13.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.203 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -68.93 105.8 2.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 69.3 m95 -68.3 107.26 2.76 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.623 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 110.57 16.04 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.322 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 52.9 t80 -101.88 128.11 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 111.45 -176.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.67 116.04 30.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.288 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.92 -39.82 95.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.925 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.17 -47.8 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.173 -174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 p -93.19 -6.09 48.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 62.92 37.46 12.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.076 0.465 . . . . 0.0 110.356 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 4' ' ' LYS . 36.0 p -110.01 130.53 55.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.894 -175.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' LEU . 70.4 m-85 -102.11 112.3 24.91 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 172.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.7 m -103.94 127.7 51.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.456 0.17 . . . . 0.0 110.557 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -98.08 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.414 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 m -87.69 105.15 17.17 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.871 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.582 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -94.29 168.99 10.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.163 -178.656 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.23 -44.48 64.5 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.379 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.8 m 63.83 -157.83 0.31 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 122.475 0.31 . . . . 0.0 110.652 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -112.72 111.48 22.31 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -61.88 146.17 50.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.258 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -87.79 172.57 9.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -99.19 142.28 30.88 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -55.94 115.03 2.16 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.319 0.58 . . . . 0.0 110.936 -176.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -80.93 127.86 33.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.304 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.2 tpt 74.02 117.8 0.05 Allowed 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.907 0.755 . . . . 0.0 112.489 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -98.76 147.59 24.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.195 173.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.6 m -99.43 147.78 6.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.086 0.47 . . . . 0.0 111.806 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -98.33 93.74 6.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.408 0.623 . . . . 0.0 110.53 177.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -115.86 68.08 0.28 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.489 ' SD ' ' HD3' ' A' ' 118' ' ' ARG . 51.2 mtm -61.37 112.04 2.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.361 0.601 . . . . 0.0 111.583 -173.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 m -92.71 130.42 38.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.487 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.591 ' H ' ' HB3' ' A' ' 149' ' ' TYR . 17.7 m -107.92 133.67 51.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.014 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.981 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -100.92 155.78 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.808 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 23.0 tptp -121.36 105.46 10.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -102.56 127.53 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' OD1' ' HB3' ' A' ' 114' ' ' PHE . 11.5 m-20 -124.26 178.89 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.682 0.277 . . . . 0.0 111.177 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 61.68 30.04 18.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.908 -173.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 82' ' ' THR . 27.3 tp -73.1 143.92 47.2 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.207 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.411 ' HB ' ' HD3' ' A' ' 81' ' ' ARG . 24.0 p -83.79 152.46 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.725 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -82.34 51.36 1.8 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.258 0.552 . . . . 0.0 110.983 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' HD3' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -157.82 11.77 0.2 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.938 175.041 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.583 HG21 HD11 ' A' ' 78' ' ' LEU . 20.4 m -91.16 108.18 19.7 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.729 ' O ' ' HB ' ' A' ' 86' ' ' THR . 56.9 m -90.78 157.57 43.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.58 ' HA ' HD12 ' A' ' 102' ' ' ILE . 4.3 Cg_endo -49.76 -44.28 36.89 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.606 2.204 . . . . 0.0 112.76 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.81 -33.23 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.824 0.345 . . . . 0.0 110.308 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.7 m -54.04 -58.23 8.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.62 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.561 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.8 mt -70.39 -37.67 74.55 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.758 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -54.86 -44.45 74.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm-85 -69.52 -39.59 77.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.659 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 86' ' ' THR . 3.8 t -74.57 -43.07 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.125 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' HG11 ' A' ' 117' ' ' VAL . 30.8 m-85 -69.55 -36.9 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.667 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -61.42 -19.06 61.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.595 -179.517 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.14 -39.14 89.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 109.894 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.64 -49.02 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.003 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.667 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -141.68 167.61 25.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -82.2 101.15 10.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.531 0.681 . . . . 0.0 110.265 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.407 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 3.0 p -87.58 136.8 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.783 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.09 -51.77 1.86 Allowed Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.217 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.5 161.21 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.42 160.04 37.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.147 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.449 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 54.5 t80 -139.45 94.88 2.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.347 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.616 HG12 ' HB1' ' A' ' 115' ' ' ALA . 48.1 mt -112.55 95.82 33.79 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.4 140.38 19.26 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.662 2.241 . . . . 0.0 112.913 -175.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -101.18 73.13 1.49 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.35 0.595 . . . . 0.0 109.449 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -107.46 115.16 29.67 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' A' ' 106' ' ' ARG . 6.9 tmm_? -129.81 83.33 2.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.247 0.546 . . . . 0.0 110.692 -175.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -158.64 130.15 6.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.353 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.1 p 61.7 149.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.474 1.11 . . . . 0.0 112.685 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.471 ' HA ' ' HD2' ' A' ' 109' ' ' LYS . 3.3 mmmp? -97.69 76.07 2.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.579 0.704 . . . . 0.0 110.474 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.792 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 8.7 pt-20 -107.34 -170.84 1.77 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.518 174.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.1 m -70.28 93.08 0.82 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.244 0.545 . . . . 0.0 110.958 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.792 ' HG3' ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -166.4 -176.27 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.064 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.76 54.45 2.49 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 -170.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 112' ' ' ARG . 29.5 p90 -140.47 173.01 11.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.893 -0.654 . . . . 0.0 110.256 -173.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.616 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -146.5 153.71 40.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 89.8 m-85 -113.66 147.0 38.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.895 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.981 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.8 m -132.02 136.1 57.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.489 ' HD3' ' SD ' ' A' ' 70' ' ' MET . 41.7 ttm180 -111.88 111.48 22.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.74 0.305 . . . . 0.0 111.47 -171.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.598 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 66.3 m-85 -98.33 169.73 9.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.498 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -73.65 -51.3 17.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.833 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 8.7 m-20 -127.63 176.05 7.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.035 0.445 . . . . 0.0 110.554 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -70.43 -20.51 62.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.705 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.833 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 31.0 ptt180 -55.66 -44.61 77.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.761 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 9.6 m-20 -77.24 -32.16 55.54 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.436 0.636 . . . . 0.0 109.531 -176.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -69.51 -42.98 74.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.043 -176.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.525 ' O ' ' HE3' ' A' ' 129' ' ' MET . 35.2 mt-10 -63.67 -48.7 76.14 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.934 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.89 -30.57 70.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.502 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.62 -54.44 5.65 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.61 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.46 -39.87 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.793 -175.148 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.04 -40.31 94.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.67 -50.36 17.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.035 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.861 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 35.5 ttm -80.25 -11.52 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -172.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.57 84.05 0.28 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.493 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 121.04 11.44 6.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.653 -171.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.861 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -101.44 131.62 47.46 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 122.478 0.311 . . . . 0.0 110.772 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.677 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 23.1 t -93.66 113.72 28.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.873 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.631 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.36 -17.46 34.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.239 178.423 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.564 ' N ' HD13 ' A' ' 137' ' ' LEU . 19.3 t70 -159.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.937 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.87 22.07 2.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -145.73 129.91 17.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.27 . . . . 0.0 111.129 -177.701 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -73.7 107.58 6.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.8 mm? -56.77 146.52 25.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.322 0.582 . . . . 0.0 111.617 -176.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -102.01 85.78 2.75 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.592 HG13 HG12 ' A' ' 75' ' ' VAL . 19.2 t -95.04 109.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -114.09 164.94 13.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.08 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 26.8 mtt -82.55 117.32 22.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.808 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -92.02 -177.34 4.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.69 106.98 18.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.291 0.567 . . . . 0.0 109.679 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.591 ' HB3' ' H ' ' A' ' 72' ' ' SER . 6.8 p90 -86.65 15.75 5.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.292 -176.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -78.42 67.75 3.05 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.82 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -136.61 122.68 13.55 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.726 0.298 . . . . 0.0 110.357 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.56 174.29 11.21 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.713 2.275 . . . . 0.0 110.539 171.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -44.12 119.49 2.07 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.396 2.064 . . . . 0.0 111.701 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -68.03 144.68 55.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 -170.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 37.4 t -164.26 28.95 0.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.411 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -130.61 16.26 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.641 -175.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -105.1 122.12 45.22 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.735 -176.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.247 0.95 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.93 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.036 0.445 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -88.19 113.97 24.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.238 0.542 . . . . 0.0 111.414 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' THR . 24.0 m-85 -101.21 143.67 31.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.036 176.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.557 ' HB2' HG22 ' A' ' 17' ' ' THR . 4.5 ttmt -119.52 141.63 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.408 . . . . 0.0 111.57 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -105.05 128.92 53.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.283 174.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 15' ' ' GLU . 48.9 mm -109.47 109.73 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.715 HD22 HD21 ' A' ' 12' ' ' LEU . 5.5 mp -87.86 100.47 12.9 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.743 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -86.35 34.88 0.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.529 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.468 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -69.02 -29.9 72.27 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.072 -171.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm 69.52 -40.34 0.45 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.309 0.643 . . . . 0.0 111.37 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -61.07 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.715 HD21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -147.89 161.5 41.17 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.145 -1.389 . . . . 0.0 108.767 172.356 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -152.87 127.18 9.21 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.99 161.05 28.62 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.791 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 51.2 mt-10 -120.85 125.77 48.36 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -142.66 157.57 44.55 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 4' ' ' LYS . 50.8 p -133.24 153.21 51.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.338 0.589 . . . . 0.0 111.765 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -140.79 140.83 34.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.827 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.36 85.72 7.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.708 0.766 . . . . 0.0 109.402 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.57 148.59 23.63 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.134 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.99 -22.5 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.171 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -148.07 155.7 41.77 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.427 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.26 85.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.297 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.15 -26.52 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.621 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 m -72.61 -45.72 57.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.489 0.661 . . . . 0.0 109.885 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.88 86.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.581 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 pt-20 -60.76 -35.27 75.97 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.096 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.27 -36.44 77.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.169 0.509 . . . . 0.0 110.936 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.76 -40.99 40.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.199 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.4 m-30 -67.41 -32.65 73.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.6 mttt -68.23 -28.15 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.222 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.88 -46.54 74.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.414 ' HD2' HD21 ' A' ' 7' ' ' LEU . 17.8 t80 -62.74 -43.17 99.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.27 96.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.212 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -71.78 -33.18 68.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.795 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.7 -34.88 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.694 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 27.6 m-80 -90.23 -23.8 21.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.267 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.78 25.8 19.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.492 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.593 HG11 HD23 ' A' ' 7' ' ' LEU . 3.1 p -97.82 115.83 38.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.363 0.602 . . . . 0.0 110.93 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.33 79.33 1.24 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.82 -176.54 23.01 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.69 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -86.26 130.31 34.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.46 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 62.3 m95 -81.95 119.24 23.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.422 0.63 . . . . 0.0 111.694 -175.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 p -122.6 149.61 43.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.976 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -134.97 135.22 41.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.48 133.57 48.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.96 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.98 -8.36 57.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.65 -59.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.232 -0.293 . . . . 0.0 110.999 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.465 HG23 ' OG1' ' A' ' 51' ' ' THR . 3.8 t -85.1 -5.59 59.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.15 46.47 8.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.41 0.624 . . . . 0.0 109.95 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.3 p -113.25 144.79 42.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.633 -175.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.12 145.11 31.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.11 172.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 m -137.77 130.85 30.38 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.939 0.399 . . . . 0.0 110.58 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.1 105.55 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.348 0.594 . . . . 0.0 109.494 174.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 m -84.06 104.89 14.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.598 -175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER -94.51 145.67 24.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 176.576 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.13 14.17 3.29 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.322 -174.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.405 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 20.6 m -83.11 -149.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.774 0.287 . . . . 0.0 110.479 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 66.9 m80 77.78 138.0 0.07 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.639 0.775 . . . . 0.0 110.239 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -103.02 39.24 1.59 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.218 0.533 . . . . 0.0 110.93 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -119.55 144.24 47.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.45 173.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -83.29 95.84 8.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.4 0.619 . . . . 0.0 109.392 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 65' ' ' MET . 10.4 t-80 -97.32 115.43 27.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.291 -171.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -83.17 75.53 9.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.402 0.62 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.853 ' HG2' ' H ' ' A' ' 66' ' ' ASP . 43.7 ttm -174.57 -164.43 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.853 ' H ' ' HG2' ' A' ' 65' ' ' MET . 14.2 m-20 66.42 79.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.559 0.695 . . . . 0.0 110.792 177.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.493 HG12 ' CZ ' ' A' ' 148' ' ' ARG . 16.8 m -91.34 82.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.855 177.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -120.47 110.54 16.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.06 -171.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.28 6.56 3.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 113.047 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 43.7 tpp 63.22 -80.54 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.029 0.532 . . . . 0.0 110.169 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.65 HG21 ' HA ' ' A' ' 122' ' ' LYS . 2.3 m -120.0 88.87 3.02 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 167.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -80.89 136.93 36.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.109 -173.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.939 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.4 mm? -104.57 145.2 30.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.999 174.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 2.9 tppp? -106.3 109.45 21.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.666 175.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.462 HG23 HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -101.65 133.7 44.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.448 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -137.42 171.63 14.18 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.313 -0.242 . . . . 0.0 110.505 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER 64.12 29.28 14.12 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.928 0.767 . . . . 0.0 109.142 -172.643 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD13 HG23 ' A' ' 75' ' ' VAL . 9.6 tp -64.26 145.42 56.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.311 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.9 p -90.37 166.2 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.59 ' HA ' ' HD3' ' A' ' 109' ' ' LYS . 59.3 m-85 -56.83 -44.92 82.54 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.302 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HD3' ' CG ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -88.88 15.1 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.284 -172.58 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.522 HG23 HG21 ' A' ' 86' ' ' THR . 96.5 m -73.68 122.72 22.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.719 0.295 . . . . 0.0 110.531 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.773 ' O ' ' HB ' ' A' ' 86' ' ' THR . 59.3 p -111.86 165.02 13.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 83' ' ' SER . 11.1 Cg_endo -55.86 -36.35 95.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.143 1.895 . . . . 0.0 111.27 174.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.97 -37.16 83.74 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.249 175.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.773 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -51.0 -57.39 8.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.646 178.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.585 HD22 ' HE1' ' A' ' 91' ' ' PHE . 36.0 mt -76.95 -38.54 53.13 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.027 -175.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -55.65 -50.81 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.084 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 86' ' ' THR . 1.8 t -75.22 -53.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.839 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.585 ' HE1' HD22 ' A' ' 87' ' ' LEU . 54.3 m-85 -63.55 -39.47 94.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -62.18 -14.67 39.94 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.409 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HB2' ' NZ ' ' A' ' 93' ' ' LYS . 4.7 ttmp? -79.58 -28.27 41.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.146 0.498 . . . . 0.0 110.711 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -84.62 -32.65 23.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.46 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -166.28 179.91 40.05 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' C ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -80.32 98.33 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.153 0.477 . . . . 0.0 110.264 -178.436 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 92' ' ' GLU . 7.7 p -91.69 130.39 40.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.535 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.52 -45.9 12.94 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -164.58 158.6 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.4 m -117.88 133.92 63.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.88 0.371 . . . . 0.0 110.086 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -113.75 99.14 7.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.16 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.465 HG12 ' HB1' ' A' ' 115' ' ' ALA . 24.7 mt -104.23 100.11 20.13 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.43 86.11 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.919 2.412 . . . . 0.0 112.86 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 107' ' ' TYR . 8.7 ttp180 -98.4 -63.69 1.1 Allowed 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 174.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t70 52.52 -89.21 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.901 175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -74.33 -74.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.959 -172.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.582 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 91.4 m-85 -87.68 -179.17 6.25 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.886 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -76.19 -15.47 60.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.058 0.456 . . . . 0.0 110.385 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.59 ' HD3' ' HA ' ' A' ' 80' ' ' TYR . 9.3 mmmm -145.31 -164.39 1.93 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.477 0.656 . . . . 0.0 112.003 -176.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' A' ' 109' ' ' LYS . 7.8 tm-20 -146.83 157.86 43.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.9 m -51.44 -38.07 51.84 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -106.62 -33.36 7.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.727 0.299 . . . . 0.0 110.726 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.401 ' H ' ' HB3' ' A' ' 110' ' ' GLU . . . 71.64 79.15 0.43 Allowed Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.007 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -128.06 155.04 44.99 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.465 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -141.36 159.51 42.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.88 175.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -118.82 148.58 42.71 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.162 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.939 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.0 m -130.25 132.05 65.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.873 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -97.5 110.83 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.227 -174.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 25.4 m-85 -103.09 158.14 16.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.738 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -58.01 -54.25 49.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.285 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.908 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 16.4 t70 -140.61 173.25 11.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.65 ' HA ' HG21 ' A' ' 71' ' ' THR . 76.0 tttt -63.5 -27.9 69.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.908 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.1 ptt180 -51.14 -43.62 61.24 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.553 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.555 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 9.9 m-20 -79.38 -32.98 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.022 -176.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -75.74 -33.6 60.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.723 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.54 ' O ' ' HE3' ' A' ' 129' ' ' MET . 50.7 mt-10 -63.77 -52.27 61.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.829 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.25 -25.75 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.895 0.378 . . . . 0.0 110.668 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 91' ' ' PHE . . . -79.0 -53.05 7.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.62 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.617 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.25 -39.4 92.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.398 -175.41 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.59 -36.53 84.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.33 0.586 . . . . 0.0 110.055 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.72 -49.35 26.05 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.766 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.604 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 93.4 mmm -84.04 -17.16 41.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.757 -168.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.58 89.82 0.73 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.783 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 110.62 22.29 6.44 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.652 -171.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.636 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.57 135.22 46.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 122.122 0.169 . . . . 0.0 110.884 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 5.5 t -96.01 109.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.013 -176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.636 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.17 -13.53 46.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 110.124 177.442 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.495 ' N ' HD13 ' A' ' 137' ' ' LEU . 16.1 t70 -160.49 -76.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.053 -176.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.88 15.26 2.85 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -133.77 129.7 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.783 -0.708 . . . . 0.0 110.101 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.783 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 23.4 mp0 -79.93 105.5 11.26 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.1 mm? -54.25 142.99 24.32 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.574 0.546 . . . . 0.0 111.398 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -93.78 80.79 4.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.343 174.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 132' ' ' MET . 41.9 t -91.6 109.51 21.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.111 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -118.83 166.06 13.27 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.73 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 17.0 mmt -69.5 116.95 10.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.048 0.451 . . . . 0.0 109.969 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.74 -32.8 23.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.533 0.682 . . . . 0.0 109.186 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ARG . . . . . 0.493 ' CZ ' HG12 ' A' ' 67' ' ' VAL . 21.8 mmm180 -98.84 96.38 7.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.851 171.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -66.64 161.43 23.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.68 -175.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.65 140.06 3.54 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.69 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -133.68 155.76 80.15 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 31.6 Cg_exo -59.45 137.31 77.24 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.775 2.316 . . . . 0.0 112.297 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 20.4 Cg_exo -66.84 -23.77 47.39 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.812 2.341 . . . . 0.0 112.011 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -65.59 -55.9 15.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.78 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.1 p -80.93 96.45 7.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.846 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -149.91 8.33 0.65 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.049 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -87.22 -53.18 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.468 0.652 . . . . 0.0 109.572 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.25 1.12 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.515 177.886 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 96.2 mmm . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.084 0.469 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -96.08 105.18 17.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.384 -176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' THR . 25.5 m-85 -94.58 139.56 31.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.321 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.676 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 13.9 tppt? -110.25 129.67 55.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -176.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 30' ' ' PHE . 39.1 tp -100.53 124.48 46.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 176.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.6 mm -104.01 104.0 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.609 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.788 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 3.8 mt -87.5 118.69 27.14 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.502 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.59 36.18 4.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.749 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -75.46 -177.59 41.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.099 -170.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -59.67 -48.65 80.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.013 0.435 . . . . 0.0 110.124 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -107.02 -65.04 1.13 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.097 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 tp -69.36 116.28 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.145 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 32.9 mtmm -128.76 97.06 4.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.153 174.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.788 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.86 169.26 29.34 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.239 -173.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.676 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 2.2 mp0 -129.47 106.33 8.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.44 ' O ' ' HD3' ' A' ' 4' ' ' LYS . 14.5 t -125.79 173.23 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.873 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 21.2 p -131.45 172.17 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.458 . . . . 0.0 111.646 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -159.24 145.4 16.48 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.872 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -79.29 102.89 8.86 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.7 37.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 -175.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -69.08 -26.44 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.449 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -138.36 153.55 48.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.359 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -36.46 73.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.352 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.25 -36.11 78.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 110.144 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.8 m -64.73 -40.33 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.068 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.63 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.2 pt-20 -64.16 -31.38 72.56 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.939 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -60.98 -44.93 96.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.843 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.22 -44.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.38 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.573 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.9 m-30 -63.25 -36.35 83.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.033 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -65.01 -44.32 89.59 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.569 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -68.47 -44.94 73.74 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.22 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.5 -44.21 96.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.723 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -65.46 -53.5 41.88 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.558 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -66.62 -30.21 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.712 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.65 -36.05 78.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.985 0.422 . . . . 0.0 110.67 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -84.71 -44.73 13.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.79 38.87 0.17 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 119.901 -1.143 . . . . 0.0 113.635 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.723 HG13 ' HB1' ' A' ' 34' ' ' ALA . 2.8 p -129.76 110.28 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.471 0.653 . . . . 0.0 111.67 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.97 79.26 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.81 -171.62 17.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.108 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 9.8 tp10 -72.94 116.25 13.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.865 0.466 . . . . 0.0 110.155 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -84.95 108.33 17.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -112.93 115.5 28.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.887 0.375 . . . . 0.0 110.135 173.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 50.7 t80 -107.08 134.85 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.055 0.455 . . . . 0.0 111.585 -176.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -107.29 120.63 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.063 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 4.7 p-10 -79.59 -17.39 53.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.79 -42.68 33.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.638 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -96.21 -9.18 31.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.394 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 60.1 42.91 14.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.672 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 4' ' ' LYS . 35.4 p -109.95 123.45 49.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.589 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -97.94 111.96 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.502 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 47.8 m -100.29 114.49 28.01 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.9 104.78 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.932 0.872 . . . . 0.0 109.295 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 7.2 m -89.64 117.53 28.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.719 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.749 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 6.4 tp10 -128.08 154.49 45.63 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.41 -96.64 0.11 Allowed Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.524 ' O ' ' HD2' ' A' ' 60' ' ' HIS . 19.4 m -134.31 99.06 4.27 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -77.98 87.55 4.15 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.524 ' HD2' ' O ' ' A' ' 58' ' ' SER . 7.7 p80 -131.79 166.89 20.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.825 -167.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -126.2 138.51 53.65 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 171.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.1 m80 71.4 141.16 0.05 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.844 0.715 . . . . 0.0 110.302 -174.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -117.93 90.04 3.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.525 0.679 . . . . 0.0 109.563 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -81.82 84.17 6.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.999 -176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.7 mmt -123.97 172.3 9.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.595 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -145.06 -47.72 0.23 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.324 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 67' ' ' VAL . 13.8 p -146.9 20.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.045 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 58.42 -97.96 0.08 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.481 -172.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.68 171.69 23.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.356 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.4 mtm -99.53 94.82 6.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.08 0.467 . . . . 0.0 110.58 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p -74.48 123.0 23.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.766 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 m -99.51 161.71 13.46 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.892 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.068 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -112.74 142.47 45.33 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 2.3 tmtp? -118.2 104.33 10.69 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -97.9 126.49 50.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -124.47 175.69 6.97 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 5.0 m-20 62.93 19.11 11.37 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -172.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 HG21 ' A' ' 82' ' ' THR . 32.4 tp -71.76 145.27 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.489 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.5 p -86.29 155.36 20.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.139 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -83.14 -7.91 59.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.246 0.546 . . . . 0.0 110.18 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -87.15 11.84 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.42 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 HD11 ' A' ' 78' ' ' LEU . 36.4 m -96.09 121.25 37.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.547 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.683 ' O ' ' HB ' ' A' ' 86' ' ' THR . 4.2 m -100.56 154.35 37.23 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.831 ' HA ' HD12 ' A' ' 102' ' ' ILE . 88.8 Cg_exo -44.35 -52.23 6.05 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.508 2.805 . . . . 0.0 114.587 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.576 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 41.1 m-20 -60.41 -24.74 65.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.814 0.34 . . . . 0.0 111.384 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.683 ' HB ' ' O ' ' A' ' 83' ' ' SER . 7.9 m -58.48 -57.08 14.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.234 176.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 102' ' ' ILE . 21.0 mt -70.86 -31.47 68.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.508 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HD2' ' HA ' ' A' ' 85' ' ' ASP . 77.2 mtt180 -52.95 -55.07 26.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.75 -40.98 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.813 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 86' ' ' THR . 2.7 t -75.14 -47.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.841 0.353 . . . . 0.0 111.381 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 31.8 m-85 -70.86 -36.16 72.7 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -16.45 50.66 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.09 -35.48 64.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -84.93 -26.87 26.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.471 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.725 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -170.57 170.51 43.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.406 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -74.75 98.51 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.15 0.5 . . . . 0.0 110.63 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.1 p -88.78 134.23 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.871 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 -50.91 4.51 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -158.91 160.9 36.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 84' ' ' PRO . 30.6 m -117.86 -6.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 123.033 0.208 . . . . 0.0 111.509 -176.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 21.6 t80 61.31 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 112.521 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 84' ' ' PRO . 21.9 mt 54.38 90.01 0.09 OUTLIER Pre-proline 0 C--N 1.322 -0.604 0 C-N-CA 124.127 0.971 . . . . 0.0 112.294 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 89.9 Cg_endo -95.22 171.53 1.35 Allowed 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.242 2.628 . . . . 0.0 111.621 171.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -106.63 -26.16 11.47 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.085 0.469 . . . . 0.0 109.824 172.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.1 137.88 18.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.097 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.682 ' HB3' ' HZ ' ' A' ' 114' ' ' PHE . 15.0 tpp180 -161.53 -86.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.861 174.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -74.65 -60.1 2.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.259 0.552 . . . . 0.0 110.656 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.6 t -97.19 31.19 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.545 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.5 pttp 40.83 -143.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.012 -173.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 57.3 tt0 -92.17 27.17 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.428 0.632 . . . . 0.0 110.591 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.7 m -73.48 -37.21 65.82 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.228 0.537 . . . . 0.0 109.825 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -135.25 131.2 36.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.919 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.45 125.85 7.86 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.55 175.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.682 ' HZ ' ' HB3' ' A' ' 106' ' ' ARG . 41.0 p90 -146.56 151.4 37.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.558 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -136.87 144.62 43.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 127.6 47.91 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 1.068 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -122.84 147.37 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -169.099 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -108.02 116.57 32.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.595 -175.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 5.8 m-30 -102.97 169.43 8.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.147 174.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -76.82 -66.03 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.615 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.882 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.4 m-20 -124.02 172.63 8.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.709 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 57.7 tttp -61.2 -25.8 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.205 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.882 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 19.4 ptt180 -53.66 -40.61 66.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.378 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.725 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 14.9 m-20 -76.19 -42.75 45.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 -175.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -78.82 -31.31 45.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.132 -170.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.709 ' HG2' ' HG2' ' A' ' 122' ' ' LYS . 50.7 mm-40 -59.34 -44.07 92.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.447 0.641 . . . . 0.0 110.734 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -31.51 67.38 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.996 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.8 -53.37 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.586 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -60.89 -31.19 70.69 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.674 0.274 . . . . 0.0 111.361 -174.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.13 -50.29 13.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.478 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.56 -39.26 64.82 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.505 ' HG3' ' CB ' ' A' ' 135' ' ' ALA . 24.1 ttm -86.25 -7.9 58.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.868 0.366 . . . . 0.0 111.497 -174.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 15.3 t70 -68.19 92.44 0.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 114.65 22.34 5.11 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.212 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.624 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -96.12 110.64 22.87 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 122.31 0.244 . . . . 0.0 111.14 177.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.604 ' HA ' ' HA ' ' A' ' 141' ' ' GLU . 21.8 t -78.85 111.83 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.846 0 CA-C-O 122.75 1.262 . . . . 0.0 110.8 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.767 ' HB2' HD21 ' A' ' 142' ' ' LEU . 1.6 tm? -76.15 -35.73 59.08 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 112.514 -2.13 . . . . 0.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.421 ' HB2' HD13 ' A' ' 137' ' ' LEU . 29.7 t70 -158.2 -62.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.817 -177.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.38 8.28 3.45 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 11.4 tpp180 -140.0 135.36 32.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.475 -0.862 . . . . 0.0 109.891 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.3 pm0 -85.14 122.18 28.97 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 137' ' ' LEU . 1.2 mm? -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.5 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.446 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 16.0 tpp180 -89.84 79.46 6.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 172.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.488 HG21 ' HG2' ' A' ' 132' ' ' MET . 40.3 t -85.92 119.74 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.369 0.604 . . . . 0.0 110.774 -175.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -118.22 169.26 9.85 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.713 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 42.0 ttm -89.08 116.9 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.048 172.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -86.09 132.31 34.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.275 -177.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ARG . . . . . 0.644 ' HA ' ' HE ' ' A' ' 148' ' ' ARG . 0.3 OUTLIER -79.19 105.63 10.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.96 -178.639 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -96.43 -24.86 15.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.379 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -83.82 55.34 5.01 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.062 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.477 ' O ' ' HD3' ' A' ' 153' ' ' PRO . 52.3 mtm180 -114.6 138.66 23.3 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 74.5 Cg_endo -89.07 107.3 0.44 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.765 2.31 . . . . 0.0 112.38 178.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 158' ' ' SER . 4.2 Cg_exo -81.24 -52.83 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.873 2.382 . . . . 0.0 111.497 177.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.652 ' HB3' ' O ' ' A' ' 157' ' ' HIS . 14.4 t70 -162.43 160.94 26.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.132 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 23.8 p -63.2 -38.25 90.44 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -129.4 -15.54 4.06 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -171.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' A' ' 154' ' ' ASP . 32.2 p80 -134.18 -167.25 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.645 174.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 153' ' ' PRO . 8.2 t . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mtp . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 18' ' ' THR . 54.3 tt0 -80.84 121.56 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -175.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -112.09 134.69 53.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.092 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.729 ' HE3' HG23 ' A' ' 17' ' ' THR . 1.5 tpmt? -102.53 126.28 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.606 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 52' ' ' PHE . 61.6 tp -103.05 122.96 45.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.081 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.8 mm -111.77 107.74 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD22 HD21 ' A' ' 12' ' ' LEU . 5.2 mp -87.45 99.25 11.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.161 0.505 . . . . 0.0 110.095 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.636 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 12.4 t-20 -88.46 41.06 0.99 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.714 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -73.44 157.79 52.17 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.294 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -89.82 -23.08 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 171.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -77.53 -51.09 11.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.88 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.859 HD21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.18 161.83 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.655 177.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 4.7 ttmp? -150.09 101.91 3.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 110.459 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 -176.26 22.93 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.778 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.61 ' OE2' ' HA ' ' A' ' 103' ' ' PRO . 33.1 mt-10 -110.88 161.32 15.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.978 0.418 . . . . 0.0 110.734 176.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 5' ' ' LEU . 9.2 t -167.11 143.13 4.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.249 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.729 HG23 ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -132.56 164.09 27.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -177.318 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 13.4 t -153.43 141.11 19.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.59 79.58 9.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -89.68 144.03 26.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.698 -171.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.6 m -79.76 -31.22 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.073 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -137.47 149.3 46.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.112 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.87 87.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.57 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -73.02 -27.45 61.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.171 0.51 . . . . 0.0 109.944 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 79.3 m -69.8 -45.17 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.787 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -61.65 -50.77 71.17 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.361 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.74 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 11.1 pt-20 -62.33 -30.66 71.32 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.188 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.1 -35.54 80.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.289 0.566 . . . . 0.0 110.667 -178.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 25' ' ' THR . 25.6 t -75.61 -33.47 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.583 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.52 -33.22 74.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.791 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.74 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptp? -58.05 -43.78 87.06 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.27 172.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.48 -45.57 92.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.514 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.425 ' HD2' HD21 ' A' ' 7' ' ' LEU . 15.5 t80 -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -64.88 -40.22 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -69.06 -36.9 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.203 0.525 . . . . 0.0 110.684 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.747 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 22.8 m-80 -82.99 -19.81 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.194 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.63 38.07 9.98 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.044 -0.598 . . . . 0.0 113.405 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG11 HD23 ' A' ' 7' ' ' LEU . 6.3 p -108.88 134.91 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.076 0.465 . . . . 0.0 110.643 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -132.65 107.45 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.44 -177.37 20.15 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.425 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.66 109.85 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' CZ2' ' HD2' ' A' ' 31' ' ' LYS . 63.4 m95 -70.12 99.51 1.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.263 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.17 109.63 19.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.257 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.596 ' HA ' ' O ' ' A' ' 51' ' ' THR . 45.7 t80 -106.92 121.64 44.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.95 0.405 . . . . 0.0 110.704 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD2' HG22 ' A' ' 49' ' ' THR . 25.2 t70 -105.1 115.7 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.21 -32.12 73.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.27 -173.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.97 85.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.783 0.325 . . . . 0.0 111.642 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.48 HG22 ' OD2' ' A' ' 46' ' ' ASP . 4.0 t -106.25 -1.96 22.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.159 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm 60.36 37.17 20.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.596 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 40.5 p -103.38 123.69 47.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.062 0.458 . . . . 0.0 112.155 -175.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' HD12 ' A' ' 5' ' ' LEU . 67.4 m-85 -94.38 111.97 23.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 166.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 m -113.87 122.61 47.56 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -97.53 103.54 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 174.267 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.636 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.2 m -87.07 96.52 10.32 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.676 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 41.9 tt0 -90.92 -30.91 16.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.081 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.41 -105.58 0.22 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.948 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.0 m 72.74 -54.94 0.69 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.467 0.707 . . . . 0.0 110.04 -174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -85.17 75.28 10.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 171.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -83.35 26.13 0.68 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -163.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 71.19 -67.73 0.24 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.165 0.586 . . . . 0.0 112.096 172.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -71.55 167.17 20.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.021 0.438 . . . . 0.0 110.926 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -126.52 149.13 49.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -91.7 -42.05 10.37 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 173.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.9 tpt -171.35 120.26 0.49 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.238 -1.347 . . . . 0.0 107.612 175.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.95 98.6 4.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.382 0.611 . . . . 0.0 111.351 -172.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -128.63 -48.32 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.408 175.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.77 18.37 8.54 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.183 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.4 33.17 6.21 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.465 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.17 100.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p -55.91 116.0 2.72 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.658 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -96.29 149.28 21.86 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.856 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.981 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -111.64 141.47 45.2 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.942 0.401 . . . . 0.0 110.943 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -104.97 104.78 14.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -93.88 126.13 46.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.275 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -112.91 158.35 20.32 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.513 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 89.2 m-20 61.96 75.88 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.748 0.655 . . . . 0.0 110.17 -177.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.59 ' CD2' HD21 ' A' ' 137' ' ' LEU . 1.3 mt -100.31 -172.73 2.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.997 0.903 . . . . 0.0 111.945 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.436 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.8 p -119.88 160.14 23.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.729 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -72.63 -3.05 22.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 0.0 111.985 -171.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 34.34 5.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.142 0.496 . . . . 0.0 111.281 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.471 ' OG1' HD22 ' A' ' 78' ' ' LEU . 27.3 m -109.37 100.09 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.172 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.643 ' O ' ' HB ' ' A' ' 86' ' ' THR . 14.8 m -95.75 160.25 30.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.692 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.2 Cg_endo -43.65 -48.16 8.98 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.324 2.683 . . . . 0.0 114.034 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.39 -21.67 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.55 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.9 m -64.33 -58.07 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 177.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 102' ' ' ILE . 16.2 mt -71.4 -28.25 63.88 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.588 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.559 ' HB2' HG21 ' A' ' 100' ' ' VAL . 18.3 ttt180 -56.95 -42.04 79.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.66 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 30.2 ttp180 -75.16 -39.23 60.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.348 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 86' ' ' THR . 20.4 t -73.72 -45.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.808 -175.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.659 ' HE1' HD22 ' A' ' 87' ' ' LEU . 33.6 m-85 -74.44 -27.34 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -174.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.0 pt-20 -65.01 -13.75 58.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 111.008 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -62.46 -48.49 79.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.832 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -83.78 -38.93 20.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.786 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.521 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -149.38 171.91 29.48 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.794 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -80.83 97.77 7.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.354 0.597 . . . . 0.0 111.134 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.627 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 2.5 p -85.37 120.31 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.797 174.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.05 -28.7 30.39 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' HB3' ' HE ' ' A' ' 118' ' ' ARG . 33.0 t70 -159.83 160.69 34.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 88' ' ' ARG . 7.7 m -137.75 154.62 29.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.955 0.407 . . . . 0.0 110.517 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.461 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 65.7 t80 -137.93 89.33 2.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.75 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.88 HG12 ' HB1' ' A' ' 115' ' ' ALA . 56.5 mt -108.65 94.51 14.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.61 ' HA ' ' OE2' ' A' ' 15' ' ' GLU . 96.1 Cg_endo -90.47 151.81 4.39 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.581 2.188 . . . . 0.0 112.537 -177.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.511 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -71.26 158.08 37.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.526 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.7 140.66 58.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 4.9 tmt_? -94.59 -20.24 19.78 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -173.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -105.14 -33.18 8.35 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -171.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -131.82 91.26 2.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -174.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.796 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 42.4 tttm 60.02 -166.0 0.2 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.758 176.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.796 ' H ' ' HG2' ' A' ' 109' ' ' LYS . 13.0 mp0 -95.01 37.84 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.7 p -70.6 161.46 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.739 HH21 HG22 ' A' ' 102' ' ' ILE . 13.9 mmm180 -117.47 98.88 6.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.92 -33.52 4.03 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.927 -174.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -147.13 161.38 41.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.616 0.246 . . . . 0.0 110.462 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.88 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.29 159.09 44.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.002 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 97.3 m-85 -123.99 141.67 51.84 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.949 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.981 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.4 m -130.18 139.39 51.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HE ' ' HB3' ' A' ' 99' ' ' ASP . 15.1 ttp180 -122.64 109.94 14.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 111.587 -171.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.666 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 74.9 m-85 -93.01 169.78 10.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.265 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -65.68 -60.79 2.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.782 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.6 t70 -127.38 167.31 16.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.874 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -60.44 -24.81 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.644 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.782 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.4 ptp180 -56.54 -37.96 71.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.207 176.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.0 m-20 -79.51 -32.32 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.243 0.544 . . . . 0.0 110.023 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.411 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -75.96 -38.09 57.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.531 -173.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.512 ' O ' ' HE3' ' A' ' 129' ' ' MET . 40.5 mt-10 -64.84 -43.23 93.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 0.0 111.044 -177.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.82 -28.6 69.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.963 0.411 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.59 6.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.238 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.57 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -61.9 -34.79 76.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.706 -172.765 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.31 -40.68 50.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.397 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.918 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.665 ' HB3' HG21 ' A' ' 144' ' ' VAL . 27.6 tpp -82.3 -16.85 47.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -174.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -72.2 96.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 170.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.614 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 103.15 21.36 10.11 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -170.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.664 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.28 135.52 51.7 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 122.493 0.317 . . . . 0.0 110.55 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.711 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 22.8 t -95.82 116.6 37.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.203 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.734 ' HG ' HD21 ' A' ' 142' ' ' LEU . 0.2 OUTLIER -93.07 -5.33 50.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.551 177.334 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -169.5 -73.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.77 -174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.06 38.19 0.85 Allowed Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.711 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 10.3 tpp180 -159.7 136.06 8.98 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.784 -0.708 . . . . 0.0 109.872 -176.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 2.0 mp0 -82.93 112.23 19.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.734 HD21 ' HG ' ' A' ' 137' ' ' LEU . 1.8 mm? -56.57 145.22 28.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -103.54 83.03 2.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 171.594 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.665 HG21 ' HB3' ' A' ' 132' ' ' MET . 25.1 t -90.0 113.42 26.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.076 -173.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -108.66 158.27 17.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.071 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.3 tpp -77.94 121.39 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.22 109.03 20.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.509 . . . . 0.0 110.873 -177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -91.86 -178.4 5.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.359 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 75.1 t80 71.79 -81.24 0.04 OUTLIER 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.83 0.706 . . . . 0.0 110.527 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 73.68 159.68 5.99 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.642 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -129.15 106.19 17.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 O-C-N 122.69 -0.3 . . . . 0.0 110.417 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.64 166.12 25.18 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.994 2.462 . . . . 0.0 111.795 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.71 31.95 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.216 2.611 . . . . 0.0 113.281 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.1 -36.62 77.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.356 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 9.9 t -65.89 84.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.702 0.763 . . . . 0.0 111.235 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -154.46 13.04 0.42 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.573 173.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -149.28 160.02 43.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.69 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.245 0.833 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 173.377 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 83.7 mtp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -91.86 102.07 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.343 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 17' ' ' THR . 51.5 m-85 -96.81 134.1 40.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.338 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.868 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 2.9 tppp? -107.59 126.41 52.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 54.3 tp -98.82 122.94 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.162 174.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.577 HD13 ' HB3' ' A' ' 15' ' ' GLU . 49.9 mm -104.14 105.02 17.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.763 HD22 HD12 ' A' ' 12' ' ' LEU . 4.5 mp -89.78 111.16 22.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.427 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 9.0 t-20 -96.91 41.19 1.12 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.827 -177.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 151.07 31.59 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.251 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 9.3 mtmp? -72.71 -29.59 63.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.053 0.454 . . . . 0.0 110.087 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 m -97.0 -42.76 7.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.288 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.763 HD12 HD22 ' A' ' 7' ' ' LEU . 2.5 tm? -121.09 102.62 8.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.076 0.465 . . . . 0.0 110.104 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.5 ttmt -120.57 102.06 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.605 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.67 -174.07 21.36 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.587 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.868 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 1.1 pp20? -146.06 138.19 25.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.01 0.433 . . . . 0.0 110.902 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -150.48 173.2 14.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.183 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 24.2 p -125.73 167.42 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.529 . . . . 0.0 111.948 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.41 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 10.4 t -147.16 137.56 23.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.974 170.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -77.11 92.39 3.77 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.64 137.23 52.34 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.87 -19.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.546 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -146.4 158.92 43.95 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.697 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.013 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.2 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.0 m -60.1 -41.83 93.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.34 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.21 62.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.58 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.78 -29.76 70.95 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.588 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -60.3 -49.81 76.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 0.0 110.909 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.0 -39.18 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.462 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.6 m-30 -63.82 -35.53 80.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.083 176.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -68.98 -37.39 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -63.7 -46.49 85.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.979 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' HD2' HD21 ' A' ' 7' ' ' LEU . 30.9 t80 -62.68 -51.8 65.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 -48.29 81.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.52 -40.83 98.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.249 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.87 -29.68 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.411 . . . . 0.0 110.809 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 23.0 m-80 -84.98 -18.27 35.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.588 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.42 5.49 51.98 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.52 -0.848 . . . . 0.0 113.497 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.98 120.41 50.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.312 0.577 . . . . 0.0 111.229 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -129.74 133.58 47.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.62 -162.02 13.81 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.095 -175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.8 110.52 8.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.208 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -75.57 99.36 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.212 0.53 . . . . 0.0 110.421 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.36 115.14 28.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.956 -176.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -108.39 121.85 45.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.84 115.68 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.92 -29.45 69.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -53.35 34.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.378 . . . . 0.0 111.688 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -91.75 -4.7 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.947 -175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 61.29 39.08 15.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.368 0.604 . . . . 0.0 109.882 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.699 HG22 ' HB3' ' A' ' 4' ' ' LYS . 15.2 p -113.0 127.21 56.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.097 -173.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -93.32 112.07 23.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.6 m -105.77 115.09 29.65 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.2 p -97.97 104.07 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 122.003 0.906 . . . . 0.0 109.356 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.427 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.1 m -86.03 103.43 14.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.932 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.4 126.7 26.21 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.359 0.6 . . . . 0.0 110.894 -176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.64 106.18 2.25 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -172.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.2 m -63.5 -28.56 70.04 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -116.87 77.15 1.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.729 0.775 . . . . 0.0 111.74 -177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -137.84 88.12 2.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.655 172.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -103.67 120.65 41.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.472 -171.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.8 m170 61.48 85.6 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.926 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -85.69 -28.74 24.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.605 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 m80 63.93 -169.73 0.19 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.499 -175.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.0 mtp -76.95 -44.52 31.05 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 169.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 t70 51.38 79.37 0.1 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 124.408 1.067 . . . . 0.0 111.562 173.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -82.55 103.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.532 0.682 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.412 ' HG2' ' HD3' ' A' ' 118' ' ' ARG . 28.0 tt0 -152.37 86.81 1.29 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.639 -177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.99 60.22 0.68 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.047 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -93.77 -166.17 1.46 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 125' ' ' ALA . 0.8 OUTLIER -49.11 105.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -174.833 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.686 ' H ' ' HB2' ' A' ' 148' ' ' ARG . 2.9 m -99.89 149.06 23.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.065 175.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.997 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -110.47 136.33 49.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.838 0.351 . . . . 0.0 111.212 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.2 tppp? -99.85 115.77 30.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.859 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.16 127.95 57.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -133.77 166.66 22.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.316 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 20.3 m120 65.69 25.51 11.5 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -168.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 82' ' ' THR . 41.0 tp -73.46 148.95 42.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.037 -173.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 p -82.62 163.28 21.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 111.982 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -78.4 -7.99 57.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.645 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 18.92 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 111.441 -176.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 HG22 HD13 ' A' ' 102' ' ' ILE . 61.4 m -80.95 126.16 31.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.015 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.747 ' O ' ' HB ' ' A' ' 86' ' ' THR . 39.8 m -106.39 157.23 35.46 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.687 ' HA ' HD12 ' A' ' 102' ' ' ILE . 53.5 Cg_exo -52.49 -39.63 73.92 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.455 2.103 . . . . 0.0 112.527 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 -38.07 77.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.349 0.595 . . . . 0.0 110.063 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.0 m -54.3 -57.34 11.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.249 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 91' ' ' PHE . 23.6 mt -73.68 -41.23 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.542 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -54.43 -46.98 73.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -54.36 -46.44 73.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 86' ' ' THR . 3.1 t -74.49 -51.5 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.557 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.599 ' HE2' HD22 ' A' ' 87' ' ' LEU . 46.1 m-85 -65.08 -32.87 74.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.7 pt-20 -66.52 -9.95 39.91 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.662 0.267 . . . . 0.0 111.689 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -67.84 -46.86 70.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.505 ' HE2' ' SD ' ' A' ' 132' ' ' MET . 17.3 m-85 -84.23 -45.29 13.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.986 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -140.48 173.31 23.14 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.512 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -85.03 100.38 11.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.136 0.493 . . . . 0.0 110.416 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.73 126.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.341 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.6 -50.33 3.17 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.672 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -141.85 126.39 17.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.629 0.252 . . . . 0.0 110.845 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.03 143.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.58 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -127.01 104.25 7.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.851 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 84' ' ' PRO . 59.4 mt -114.46 100.66 53.39 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.905 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.46 109.08 1.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.475 2.117 . . . . 0.0 111.128 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.648 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 2.0 mmp_? -109.14 111.03 22.42 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.171 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.43 140.81 43.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.955 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.75 58.68 1.68 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 172.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -144.61 -41.59 0.25 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.113 172.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 t -108.77 -28.31 9.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.807 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -88.61 128.83 35.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -135.14 -37.11 0.8 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.073 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 m -98.55 105.74 17.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.601 0.239 . . . . 0.0 111.488 -175.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 61.41 -169.98 0.16 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.317 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -167.28 166.95 39.58 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.209 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -143.8 161.36 38.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.467 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -147.11 165.35 30.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -124.97 142.15 51.67 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.445 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 73' ' ' LEU . 8.8 m -132.03 131.22 61.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.997 176.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.412 ' HD3' ' HG2' ' A' ' 68' ' ' GLU . 37.0 ttm180 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.75 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 29.6 m-85 -105.77 168.27 9.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.29 0.567 . . . . 0.0 112.058 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.405 ' HB3' ' OD1' ' A' ' 124' ' ' ASP . 33.0 t-80 -61.23 -68.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.173 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.56 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 30.2 t70 -128.27 174.15 9.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.588 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.501 ' HA ' HG21 ' A' ' 71' ' ' THR . 48.9 tttm -59.63 -31.3 69.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.56 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 16.5 ptt180 -59.41 -37.86 79.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.975 0.417 . . . . 0.0 110.506 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.7 m-20 -73.16 -36.38 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 109.743 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 71' ' ' THR . . . -70.85 -38.66 73.19 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.844 -177.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.617 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 43.9 mt-10 -69.16 -43.75 73.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.443 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -39.13 67.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.701 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.9 -52.37 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.01 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.997 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -63.94 -30.4 71.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.28 -173.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.16 -43.27 43.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.437 . . . . 0.0 110.147 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.59 -56.4 4.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.618 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.581 ' HB3' HG21 ' A' ' 144' ' ' VAL . 81.4 mmm -71.99 -12.22 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.044 -165.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.29 85.23 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.592 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 117.4 27.74 2.54 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.821 -170.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -110.08 125.67 53.21 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 122.15 0.18 . . . . 0.0 111.212 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.0 t -88.3 112.91 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.987 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.601 ' HB3' HD21 ' A' ' 142' ' ' LEU . 1.0 OUTLIER -93.99 -8.89 38.66 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.132 0.491 . . . . 0.0 110.787 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -160.81 -76.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.004 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.71 2.71 2.5 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.643 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 17.2 tpp180 -125.32 134.76 52.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.736 -0.732 . . . . 0.0 110.326 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -86.04 109.71 19.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -58.88 151.52 21.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.098 -171.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.77 93.44 5.81 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.786 HG12 HD12 ' A' ' 73' ' ' LEU . 48.5 t -103.43 127.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.009 -170.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.472 ' O ' HD13 ' A' ' 73' ' ' LEU . 94.8 mt-30 -130.11 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.694 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.6 ttm -71.55 116.8 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -111.13 41.37 1.85 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.939 0.4 . . . . 0.0 111.342 -172.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ARG . . . . . 0.686 ' HB2' ' H ' ' A' ' 72' ' ' SER . 1.4 tpt180 -157.83 168.24 27.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.667 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -61.48 129.35 40.75 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -86.77 31.88 4.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.037 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -173.61 127.76 0.48 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 122.616 0.367 . . . . 0.0 110.132 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 51.9 Cg_exo -54.82 128.02 28.66 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.761 2.308 . . . . 0.0 111.543 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 43.4 Cg_exo -56.96 -32.63 93.39 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.977 2.451 . . . . 0.0 113.233 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.545 ' HA ' ' NE2' ' A' ' 157' ' ' HIS . 33.8 m-20 -85.41 8.57 18.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -172.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 70.1 p -81.47 -37.86 27.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -91.42 14.12 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.545 ' NE2' ' HA ' ' A' ' 154' ' ' ASP . 23.8 p80 -146.32 132.82 19.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 171.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.699 -0.667 . . . . 0.0 109.658 -177.031 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.794 0.33 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -131.9 130.82 42.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.028 0.442 . . . . 0.0 110.213 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -112.45 150.41 31.23 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.796 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.034 ' HG2' HG22 ' A' ' 17' ' ' THR . 36.4 mtpt -115.05 161.04 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.046 0.45 . . . . 0.0 111.417 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -120.79 118.24 29.49 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.805 172.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.2 mm -98.42 107.18 19.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.957 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.2 103.0 15.72 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 76.9 m-20 -97.6 39.54 1.2 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.527 175.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.619 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -91.62 160.0 26.29 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.412 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 19.6 pttm -73.83 -29.44 62.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.468 176.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.5 p -86.39 -35.55 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.247 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.957 HD12 HD22 ' A' ' 7' ' ' LEU . 2.6 tm? -142.88 123.99 14.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.269 -177.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.2 tmtm? -123.0 97.1 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.66 -174.53 21.79 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.904 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.15 157.45 43.11 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 9.0 t -167.35 164.44 15.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 175.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.034 HG22 ' HG2' ' A' ' 4' ' ' LYS . 70.8 p -134.47 161.86 33.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -154.49 141.37 19.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.294 170.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.45 84.88 7.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.466 0.651 . . . . 0.0 109.398 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.2 136.88 42.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.665 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.65 -14.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.0 t70 -143.74 150.61 38.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.566 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.85 91.46 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.357 0.41 . . . . 0.0 111.493 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.519 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.87 -31.5 71.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 24.9 m -66.52 -40.55 89.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.762 176.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.58 -49.62 57.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.479 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 12.9 pt-20 -59.09 -37.74 77.84 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.2 -39.12 91.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 111.271 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -71.51 -39.11 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.189 0.519 . . . . 0.0 110.392 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.3 m-30 -67.73 -32.85 73.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.905 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.26 -31.17 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -66.69 -38.57 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.934 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -72.09 -47.02 54.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.253 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.442 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -71.78 -26.21 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.866 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -68.04 -41.23 82.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.46 0.647 . . . . 0.0 109.66 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 42.3 m-80 -88.48 -3.36 58.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.881 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 30.56 62.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.635 -0.711 . . . . 0.0 113.324 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.1 p -110.41 113.49 44.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.384 0.611 . . . . 0.0 111.111 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 2.9 m-20 -117.52 97.14 5.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.89 175.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.38 -165.37 14.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.56 105.99 14.06 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -66.37 98.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -105.1 115.58 30.51 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.793 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -112.28 128.98 56.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.166 0.508 . . . . 0.0 111.052 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.31 116.81 29.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.74 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -75.05 -12.42 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.79 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.56 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -94.6 -2.1 52.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.046 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 58.19 48.37 12.91 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.347 0.594 . . . . 0.0 110.812 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.686 HG22 ' HB2' ' A' ' 4' ' ' LYS . 21.5 p -113.31 119.44 37.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.443 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.7 m-85 -90.24 127.08 36.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.2 m -121.72 128.37 51.71 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 120.555 0.216 . . . . 0.0 110.683 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -97.26 102.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.464 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -86.69 102.34 14.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.298 -0.865 . . . . 0.0 108.977 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.587 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER -110.59 112.16 23.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.265 -174.043 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -147.89 45.28 0.75 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.442 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 15.8 m -67.19 122.1 17.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.947 0.404 . . . . 0.0 111.098 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -130.99 24.9 4.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.393 0.616 . . . . 0.0 109.731 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.442 ' CE1' ' HB3' ' A' ' 58' ' ' SER . 34.1 p-80 -80.83 79.32 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.521 0.677 . . . . 0.0 109.974 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -151.02 17.43 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.612 -174.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -129.19 31.96 4.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.699 -0.8 . . . . 0.0 112.595 -175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -79.4 108.87 13.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 168.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.405 ' HB3' ' H ' ' A' ' 65' ' ' MET . 38.5 t-80 -67.71 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.242 -174.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.405 ' H ' ' HB3' ' A' ' 64' ' ' HIS . 67.0 mtt -134.68 31.85 3.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.605 0.717 . . . . 0.0 109.226 174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' LYS . 32.6 t70 -81.95 102.66 11.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.622 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.596 HG12 ' HD3' ' A' ' 122' ' ' LYS . 29.3 m -128.93 0.49 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.372 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -99.85 143.02 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.758 -176.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.12 157.48 13.72 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.285 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 154' ' ' ASP . 3.2 mpp? -69.98 94.37 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.372 0.606 . . . . 0.0 109.98 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.569 ' HA ' ' HE1' ' A' ' 149' ' ' TYR . 14.8 m -72.55 131.18 42.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.63 -171.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -105.28 139.04 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.598 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.881 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -114.53 144.72 42.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.122 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.2 OUTLIER -105.94 116.06 31.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.734 173.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -103.1 119.34 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 173.383 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.92 -177.38 3.82 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.129 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.574 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.0 m120 62.04 24.09 14.3 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -170.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.696 HD11 HG21 ' A' ' 82' ' ' THR . 21.5 tp -61.64 148.27 43.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.688 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.413 ' OG1' HD11 ' A' ' 137' ' ' LEU . 1.0 OUTLIER -73.42 166.79 22.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.615 -179.438 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -96.02 25.47 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.236 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 33.07 0.55 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.696 HG21 HD11 ' A' ' 78' ' ' LEU . 1.3 m -89.98 129.13 36.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -113.77 141.39 26.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.462 0.172 . . . . 0.0 111.284 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HG3' ' HB ' ' A' ' 102' ' ' ILE . 16.5 Cg_exo -64.34 82.28 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.389 2.726 . . . . 0.0 111.89 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -179.22 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.846 HG21 HD23 ' A' ' 137' ' ' LEU . 1.3 m -54.92 -57.0 13.4 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.075 173.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.0 mt -64.16 -39.32 93.75 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.29 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.683 ' HB2' HG21 ' A' ' 100' ' ' VAL . 49.2 ttp180 -54.29 -55.8 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -52.39 -44.53 65.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.13 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 86' ' ' THR . 2.7 t -74.76 -44.06 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.785 0.326 . . . . 0.0 111.858 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.599 ' HE2' HD22 ' A' ' 87' ' ' LEU . 52.5 m-85 -73.51 -37.43 65.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -175.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.5 pt-20 -63.92 -18.96 64.74 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 110.953 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 90' ' ' VAL . 55.8 tttp -63.22 -44.9 93.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.315 175.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -83.98 -31.87 25.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.073 -175.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -161.08 -178.48 35.09 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.103 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 96' ' ' ARG . 20.2 ttt180 -79.83 97.51 6.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 110.691 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.54 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 12.2 p -103.64 139.44 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.828 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.87 -60.29 0.65 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.281 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.42 136.63 47.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.683 HG21 ' HB2' ' A' ' 88' ' ' ARG . 9.7 m -124.15 93.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 122.119 0.961 . . . . 0.0 109.602 171.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -85.28 95.29 9.15 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.654 -173.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.52 HD11 ' HG ' ' A' ' 87' ' ' LEU . 32.8 mt -108.51 91.3 8.31 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.552 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 95.8 Cg_endo -85.11 -177.53 2.8 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.601 2.2 . . . . 0.0 112.249 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 105' ' ' ASP . 24.3 mtp180 -81.2 -54.7 5.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 176.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 104' ' ' ARG . 16.5 t70 172.61 90.03 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 173.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -78.47 150.41 33.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.42 -170.627 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.576 ' H ' ' HD3' ' A' ' 106' ' ' ARG . 53.3 m-85 72.73 159.86 0.22 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 114.673 -1.148 . . . . 0.0 109.96 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 108' ' ' THR . 10.1 t -80.44 98.36 7.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.853 0.835 . . . . 0.0 109.7 177.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -132.29 178.0 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.588 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.71 16.89 25.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.021 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.5 p -81.2 -172.44 3.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.297 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 31.87 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.317 -176.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.73 133.61 7.4 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.551 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.547 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 33.9 p90 -161.25 156.73 24.52 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -137.6 157.23 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.508 . . . . 0.0 112.219 -175.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -129.78 150.61 51.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.278 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.881 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.0 m -131.77 144.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.891 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -120.62 116.85 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 0.0 111.145 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.67 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 84.1 m-85 -98.32 170.51 8.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.193 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.85 -47.9 60.89 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.834 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.943 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 9.0 m-20 -134.78 -177.45 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 0.0 110.262 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.601 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 74.9 tttt -67.55 -28.37 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.048 176.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.943 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 6.0 ptm180 -53.25 -43.19 67.16 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 11.7 m-20 -78.81 -27.8 44.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.036 -177.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 73' ' ' LEU . . . -78.35 -37.41 44.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.355 -175.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.607 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.59 -31.76 68.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 110.7 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.464 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -79.93 -53.22 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.801 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.607 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -68.76 -26.75 65.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.675 0.274 . . . . 0.0 111.366 -174.71 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.23 -38.07 56.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.279 0.561 . . . . 0.0 109.888 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.17 -49.76 16.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.754 0.788 . . . . 0.0 112.343 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 134' ' ' GLY . 80.2 mmm -90.07 10.42 24.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.294 -164.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.593 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 3.1 p-10 -79.71 10.91 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.88 0.848 . . . . 0.0 109.952 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 132' ' ' MET . . . -167.28 56.79 0.23 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.126 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.635 ' C ' ' HA ' ' A' ' 141' ' ' GLU . . . -127.76 119.87 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.335 . . . . 0.0 111.443 -173.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 44.0 t -83.19 114.04 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.972 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.846 HD23 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.52 -19.64 30.85 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 -178.844 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 137' ' ' LEU . 13.9 t70 -170.29 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.063 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -131.61 -24.83 0.8 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.735 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.644 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 25.4 tpt180 -121.87 142.55 50.14 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.678 0.275 . . . . 0.0 111.399 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.635 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 1.3 pm0 -77.94 106.93 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.189 165.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -53.29 145.06 14.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.836 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.437 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 26.8 tpt180 -97.76 84.39 3.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 173.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.593 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 54.8 t -90.14 112.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.895 -176.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -119.13 150.04 40.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.476 -0.784 . . . . 0.0 108.935 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.59 ' HA ' HD13 ' A' ' 73' ' ' LEU . 44.8 ttm -64.01 116.88 6.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.63 169.25 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 111.843 -169.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -87.78 10.77 17.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.288 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.569 ' HE1' ' HA ' ' A' ' 71' ' ' THR . 91.3 m-85 69.0 113.17 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 O-C-N 124.022 0.826 . . . . 0.0 110.743 -175.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.68 -28.71 73.65 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.802 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -161.7 161.29 22.37 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 26.4 Cg_exo -63.59 111.37 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.28 1.986 . . . . 0.0 110.605 172.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 41.7 Cg_endo -93.64 134.13 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.014 2.476 . . . . 0.0 113.656 -173.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.44 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 8.9 t70 -152.59 140.73 20.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 7.3 m -106.45 -2.02 22.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -170.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -139.1 -20.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.655 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -106.47 140.26 39.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.719 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.295 -0.859 . . . . 0.0 108.948 172.748 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -96.79 121.34 38.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.472 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.2 146.39 43.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.442 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.641 ' HG2' HG22 ' A' ' 51' ' ' THR . 1.2 tpmt? -118.18 123.04 44.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.426 -176.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 30' ' ' PHE . 65.8 tp -96.49 123.31 40.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.8 mm -112.18 108.15 24.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.869 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -88.6 105.02 17.38 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.185 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -97.25 44.33 1.05 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.025 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -71.73 167.84 52.05 Favored Glycine 0 N--CA 1.437 -1.265 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.11 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -83.32 -19.87 35.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.635 0.731 . . . . 0.0 109.029 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.2 m -120.29 -48.8 2.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.651 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.869 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -100.51 110.48 22.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.155 0.503 . . . . 0.0 110.634 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.5 tttp -120.85 106.87 12.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.474 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.602 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.38 -175.7 21.96 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.092 -1.051 . . . . 0.0 113.053 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -133.48 152.2 51.88 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.53 0.332 . . . . 0.0 110.178 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 5' ' ' LEU . 14.3 t -164.74 153.04 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.11 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.439 ' CG2' ' HE3' ' A' ' 4' ' ' LYS . 20.4 p -126.83 165.64 18.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.508 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -157.62 145.45 18.79 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -85.0 85.17 7.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -102.25 146.29 28.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.99 -174.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -99.18 -31.1 3.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.58 15.65 14.58 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 119.557 -0.857 . . . . 0.0 112.827 -168.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.01 -56.41 0.36 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.073 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.9 -29.54 70.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.413 0.625 . . . . 0.0 109.829 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 m -62.64 -34.92 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.551 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.64 -53.1 14.73 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.117 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.4 pt-20 -59.06 -33.59 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.314 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -61.43 -45.03 96.03 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.78 -36.95 72.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.6 m-30 -64.68 -31.39 72.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.843 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.4 mttm -68.34 -36.72 79.67 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.066 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -64.73 -36.47 84.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.141 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' HD1' HD21 ' A' ' 7' ' ' LEU . 33.8 t80 -68.82 -51.38 41.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.04 -50.86 71.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.698 -177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.65 -38.3 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.435 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.89 -32.87 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 110.404 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.81 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 34.0 m-80 -86.37 -13.07 47.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.002 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.99 14.91 44.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.808 -0.71 . . . . 0.0 114.092 170.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.2 131.52 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.331 0.566 . . . . 0.0 111.983 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -133.09 134.09 43.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.53 -165.61 13.44 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.555 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.24 98.26 2.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -65.09 99.34 0.36 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.45 116.87 32.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.389 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 66.0 t80 -110.27 121.49 45.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.977 0.418 . . . . 0.0 111.051 -177.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -94.0 124.13 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.126 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.3 -17.54 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.147 -174.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.07 -36.37 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.5 p -110.51 -11.01 14.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 63.89 34.27 11.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.073 0.463 . . . . 0.0 110.87 -173.579 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.641 HG22 ' HG2' ' A' ' 4' ' ' LYS . 21.5 p -92.86 118.61 31.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.321 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' HD12 ' A' ' 5' ' ' LEU . 58.5 m-85 -93.72 111.92 23.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 169.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 m -109.44 125.08 52.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.235 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -96.92 103.93 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.516 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 16.8 m -87.57 110.86 20.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.181 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -113.64 166.82 11.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 56' ' ' GLU . . . 89.49 -43.43 3.01 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.805 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 t -153.79 143.6 21.87 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -113.05 -5.5 13.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.563 0.697 . . . . 0.0 109.215 174.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 62' ' ' HIS . 19.6 t-80 -81.74 134.11 35.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.584 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -58.89 -47.82 83.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.73 0.3 . . . . 0.0 110.903 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 56.6 t-80 -75.16 111.35 10.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -158.57 -179.87 8.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 111.462 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -128.62 115.9 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.536 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 ptm -136.21 174.32 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.753 0.311 . . . . 0.0 110.883 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -99.24 125.53 44.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.794 HG21 ' HD3' ' A' ' 153' ' ' PRO . 27.2 m -112.05 156.72 13.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.201 0.524 . . . . 0.0 111.513 -174.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.12 -174.0 2.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.767 176.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.03 -126.39 7.45 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.099 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -62.37 151.55 36.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.769 0.318 . . . . 0.0 110.957 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.5 m -104.48 123.84 48.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -99.02 140.19 33.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.268 0.556 . . . . 0.0 111.1 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.749 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.8 mm? -108.92 149.35 29.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.932 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -115.06 126.07 54.28 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -111.33 138.37 40.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.745 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -139.55 177.17 8.12 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 50.1 m-80 63.25 27.39 15.49 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -170.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.487 HD11 HG21 ' A' ' 82' ' ' THR . 17.6 tp -71.99 148.16 46.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.36 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 138' ' ' ASP . 4.2 p -79.66 6.68 10.07 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 76.5 m-85 70.24 -30.93 0.21 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.054 0.541 . . . . 0.0 112.279 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 79' ' ' THR . 14.7 ptm180 -77.37 -21.12 53.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.987 0.423 . . . . 0.0 110.419 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 78' ' ' LEU . 15.7 m -54.0 125.65 19.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.704 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.786 ' O ' ' HB ' ' A' ' 86' ' ' THR . 29.5 m -99.72 155.57 36.33 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.201 177.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.487 ' HA ' HD12 ' A' ' 102' ' ' ILE . 7.8 Cg_endo -50.68 -48.23 21.48 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.878 2.385 . . . . 0.0 113.059 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.24 -20.91 63.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.79 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.786 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -59.76 -56.81 17.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.71 175.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.582 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.6 mt -69.42 -38.35 77.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.938 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.449 ' HB2' HG21 ' A' ' 100' ' ' VAL . 34.2 ttt180 -53.24 -50.22 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.909 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -55.23 -46.59 75.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.119 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 86' ' ' THR . 2.8 t -74.43 -48.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 111.389 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.582 ' HE2' HD22 ' A' ' 87' ' ' LEU . 24.3 m-85 -64.14 -38.54 91.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.191 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.42 -10.69 12.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -73.73 -36.32 65.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.548 176.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.443 ' HE2' ' HE1' ' A' ' 132' ' ' MET . 49.3 m-85 -84.02 -36.63 22.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.113 -174.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.42 -178.4 31.44 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -88.19 95.39 10.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.585 0.692 . . . . 0.0 111.043 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -85.86 139.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.515 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.68 -13.04 7.55 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.053 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -153.79 146.45 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.996 0.398 . . . . 0.0 110.484 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 88' ' ' ARG . 14.3 m -141.5 139.9 31.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.079 0.466 . . . . 0.0 110.646 175.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -133.67 112.8 11.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.55 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.757 HG12 ' HB1' ' A' ' 115' ' ' ALA . 40.2 mt -119.24 96.33 49.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.846 0.355 . . . . 0.0 111.403 -176.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 115' ' ' ALA . 87.0 Cg_endo -82.92 81.74 2.33 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.844 2.363 . . . . 0.0 110.59 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 80' ' ' TYR . 6.4 ppt_? -95.6 2.15 54.04 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.675 -173.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -96.56 162.69 13.35 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.412 ' HD3' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -93.47 137.29 32.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.891 0.377 . . . . 0.0 110.569 -176.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -142.98 -175.43 4.51 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.139 177.237 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.5 p -51.51 -64.48 0.8 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -171.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.418 ' HG3' ' HG2' ' A' ' 110' ' ' GLU . 17.1 pttp -135.28 -158.13 0.85 Allowed 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 -178.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 109' ' ' LYS . 9.3 mm-40 70.96 19.28 5.74 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.646 0.591 . . . . 0.0 110.711 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.5 m 65.77 -165.28 0.23 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -167.92 158.48 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -172.809 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.31 51.54 51.71 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.906 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.41 ' HE2' ' CE2' ' A' ' 116' ' ' PHE . 28.9 p90 -149.39 167.16 26.93 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.757 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -148.74 162.21 40.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.844 0.354 . . . . 0.0 111.331 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.41 ' CE2' ' HE2' ' A' ' 114' ' ' PHE . 57.2 m-85 -124.05 140.22 53.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.088 175.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.3 m -129.79 137.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.217 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 153' ' ' PRO . 30.7 ttm180 -118.75 117.18 28.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.993 0.425 . . . . 0.0 111.554 -172.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.75 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 28.7 m-85 -101.83 168.43 9.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.929 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -62.55 -66.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.722 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.529 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 5.6 m-20 -119.28 -179.21 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.375 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -69.76 -28.3 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.529 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 27.4 ptt85 -57.61 -37.54 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.75 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 22.4 m-20 -75.03 -35.13 61.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.337 0.589 . . . . 0.0 109.974 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.578 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -74.56 -36.82 63.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.099 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.509 ' O ' ' HE3' ' A' ' 129' ' ' MET . 51.4 mm-40 -58.46 -54.3 48.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.28 -36.03 70.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.138 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.444 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.2 -53.13 6.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.428 -172.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.635 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.78 -34.99 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.638 0.256 . . . . 0.0 110.617 -176.28 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.87 -41.95 86.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.198 0.523 . . . . 0.0 110.167 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.92 -46.03 46.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.217 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.662 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 34.1 tpp -80.35 -16.9 53.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.579 -173.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.7 89.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.542 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 110.07 15.84 11.26 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.43 -171.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.671 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -99.3 128.47 45.43 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.1 t -93.02 103.78 15.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.873 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -84.12 -22.62 31.02 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.673 ' N ' HD13 ' A' ' 137' ' ' LEU . 34.1 t70 172.7 98.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.188 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.62 7.87 36.72 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.666 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 13.7 tpp180 -157.34 134.31 10.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.663 0.232 . . . . 0.0 110.916 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.671 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -88.06 115.77 25.77 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.379 0.609 . . . . 0.0 110.111 167.473 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.0 mm? -63.51 153.93 34.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.454 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.516 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 72.3 ttt180 -103.38 110.4 22.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.574 HG21 ' CG ' ' A' ' 132' ' ' MET . 33.6 t -123.77 111.79 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.161 0.505 . . . . 0.0 110.681 -172.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -130.6 177.06 7.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.484 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.7 mmt -69.1 138.69 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.47 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.932 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . . . -128.14 116.23 19.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.101 0.477 . . . . 0.0 111.549 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -110.09 -36.69 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 172.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 151' ' ' ARG . 42.2 t80 72.56 -57.76 0.62 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.725 174.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.06 13.11 2.47 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.119 -177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.48 ' HG2' ' CD2' ' A' ' 149' ' ' TYR . 35.5 ptt85 -146.42 164.33 25.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.46 ' HA ' HG21 ' A' ' 67' ' ' VAL . 53.6 Cg_exo -54.68 154.68 19.72 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.423 2.082 . . . . 0.0 111.937 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.794 ' HD3' HG21 ' A' ' 67' ' ' VAL . 79.6 Cg_exo -49.06 -44.23 33.56 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.4 2.733 . . . . 0.0 113.066 -175.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.482 ' CG ' ' HD1' ' A' ' 156' ' ' HIS . 16.2 t70 -162.54 149.77 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 27.6 p -111.88 11.82 20.8 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' HIS . . . . . 0.482 ' HD1' ' CG ' ' A' ' 154' ' ' ASP . 3.7 p-80 -121.48 -51.13 2.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.887 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.434 ' N ' ' CG ' ' A' ' 156' ' ' HIS . 58.7 m170 42.94 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.349 1.06 . . . . 0.0 113.109 -173.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.27 -179.461 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 tpp . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.89 0.376 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -77.65 110.07 12.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.889 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 17' ' ' THR . 32.3 m-85 -106.91 136.21 47.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.865 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.661 ' HB3' HG22 ' A' ' 51' ' ' THR . 30.5 ttmt -108.84 143.08 38.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.904 0.383 . . . . 0.0 111.234 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 64.2 tp -109.0 118.92 38.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.066 173.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 15' ' ' GLU . 47.8 mm -91.26 108.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.443 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.722 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.7 mt -85.84 101.1 12.53 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.48 45.84 1.04 Allowed 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.447 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -86.84 -164.94 40.6 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 114.931 -1.031 . . . . 0.0 113.533 -170.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -73.14 -64.39 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -109.88 16.96 21.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.238 0.542 . . . . 0.0 110.566 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD21 HD13 ' A' ' 7' ' ' LEU . 54.9 tp -137.98 117.35 12.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.789 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 21.3 ttpp -136.66 92.16 2.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.722 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.74 179.88 26.14 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.035 -175.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' A' ' 6' ' ' ILE . 52.5 mt-10 -131.35 139.31 49.49 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -150.92 150.12 30.46 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 4' ' ' LYS . 62.9 p -125.83 156.57 39.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.813 0.34 . . . . 0.0 110.824 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 t -143.68 152.27 41.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.381 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -80.48 90.41 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.242 0.544 . . . . 0.0 110.19 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 135.63 43.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.915 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 m -77.55 -24.08 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.876 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -152.59 158.99 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.18 73.61 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.235 0.334 . . . . 0.0 111.382 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.75 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.6 m -73.93 -41.06 62.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.919 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.04 80.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.244 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.5 pt-20 -60.97 -36.61 79.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.768 -176.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.59 -42.68 99.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.988 0.423 . . . . 0.0 111.016 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.62 -42.01 83.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.271 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.5 m-30 -64.07 -36.12 82.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.229 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.5 mttt -71.54 -35.02 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.207 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.0 -43.5 95.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.082 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -68.88 -45.21 71.56 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.76 94.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.228 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -64.45 -35.78 82.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.78 -42.24 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.987 0.423 . . . . 0.0 110.62 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' CB ' HD22 ' A' ' 12' ' ' LEU . 27.7 m-80 -78.49 -16.16 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.295 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.64 35.72 15.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.958 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' HA3' ' A' ' 9' ' ' GLY . 3.5 p -114.61 110.75 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.594 0.711 . . . . 0.0 110.867 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -120.67 96.6 5.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.192 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.499 ' HA3' ' HB2' ' A' ' 56' ' ' GLU . . . -123.86 -168.83 13.04 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.341 -176.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 36.0 tt0 -66.89 114.12 5.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 58.9 m95 -78.99 106.58 11.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 111.182 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.44 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 12.2 p -115.72 149.6 38.17 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.395 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -136.0 123.8 22.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.0 110.293 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 8.6 m-20 -89.44 117.91 28.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.952 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.09 150.38 48.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.997 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.59 -42.1 0.46 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.932 0.893 . . . . 0.0 112.224 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 p -85.54 -15.28 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.602 0.239 . . . . 0.0 111.384 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.84 31.86 11.3 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.416 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 4' ' ' LYS . 25.4 p -107.98 123.87 49.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -94.1 146.44 23.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.44 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 70.9 m -137.11 125.98 24.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.565 0.221 . . . . 0.0 110.785 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.05 104.77 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.174 0.512 . . . . 0.0 110.123 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 41.1 m -88.78 101.37 13.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB2' ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -131.96 98.22 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.543 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.09 37.8 93.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.662 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.414 ' OG ' HG23 ' A' ' 55' ' ' THR . 19.0 m -64.05 -28.5 69.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.949 0.404 . . . . 0.0 111.113 -176.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -87.95 92.99 9.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -82.6 23.52 0.78 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.752 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -81.0 43.32 0.69 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.5 0.667 . . . . 0.0 110.271 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -147.35 107.13 3.96 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -126.19 -173.56 2.89 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.535 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 68.17 27.36 6.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.495 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.5 mtp -77.89 174.98 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.192 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 10.6 p-10 -71.25 133.02 45.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 66' ' ' ASP . 85.6 t 74.95 -43.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.761 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -71.02 117.64 12.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.226 0.536 . . . . 0.0 111.382 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.96 -168.97 11.48 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 173.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.408 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -73.17 149.13 43.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.308 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.593 ' HB ' ' HB2' ' A' ' 125' ' ' ALA . 0.8 OUTLIER -57.11 98.22 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.495 0.664 . . . . 0.0 112.157 -172.625 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -103.26 135.61 44.57 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.44 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.934 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -100.28 144.41 29.33 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.434 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 1.0 OUTLIER -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 176.664 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 0.7 OUTLIER -104.36 131.14 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.91 175.01 9.96 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 18.3 m-80 60.45 26.1 15.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 109.276 -168.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 HG21 ' A' ' 82' ' ' THR . 24.2 tp -69.49 149.05 48.69 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.971 -172.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 33.6 p -88.96 147.62 24.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.42 30.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -173.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -135.31 16.67 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 109.914 173.766 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.557 HG21 HD11 ' A' ' 78' ' ' LEU . 34.1 m -86.68 110.5 19.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.289 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.734 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.3 p -86.2 154.43 57.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.706 ' HA ' HD12 ' A' ' 102' ' ' ILE . 6.3 Cg_endo -51.35 -43.84 46.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.868 2.379 . . . . 0.0 112.812 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.31 -28.94 68.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.49 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.734 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -54.86 -57.33 12.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.23 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 ' HE1' ' A' ' 91' ' ' PHE . 14.2 mt -69.58 -31.81 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -176.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -55.23 -55.04 35.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.164 174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.83 -41.29 97.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.123 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 86' ' ' THR . 5.2 t -73.97 -49.06 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.755 -176.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 28.8 m-85 -70.79 -31.3 68.02 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.6 -5.84 13.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.315 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.41 -47.33 86.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.114 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' HB3' ' OD2' ' A' ' 127' ' ' ASP . 79.4 m-85 -84.57 -53.27 5.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.13 -174.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.24 -174.17 13.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 0.0 112.33 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -89.17 95.35 10.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.403 0.62 . . . . 0.0 110.948 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.6 p -88.37 126.32 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.126 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.65 -45.29 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.012 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -159.18 174.26 15.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.56 171.37 17.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.271 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.668 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 31.3 t80 -131.61 82.01 2.01 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.322 0.582 . . . . 0.0 110.224 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 84' ' ' PRO . 21.4 mt -114.01 87.57 13.11 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 170.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -87.54 163.57 8.0 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.772 2.314 . . . . 0.0 113.928 -168.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -89.38 22.25 3.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.933 174.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.78 -20.24 66.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.2 171.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.784 ' HG2' ' HB3' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -82.19 108.67 15.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.532 173.68 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -165.24 -65.14 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.305 173.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.1 t -98.45 -26.73 14.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -76.26 -72.79 0.31 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.421 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.784 ' HB3' ' HG2' ' A' ' 106' ' ' ARG . 7.0 pt-20 35.39 -123.02 0.13 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.132 0.895 . . . . 0.0 111.976 -175.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.5 m 73.15 -41.06 0.49 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.542 0.737 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 112' ' ' ARG . 21.2 mmt180 -121.49 124.49 44.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.333 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.46 106.32 2.81 Favored Glycine 0 N--CA 1.442 -0.925 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -141.38 151.11 43.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.797 0.332 . . . . 0.0 110.988 -177.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.617 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -152.85 162.76 40.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.688 175.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.668 ' HB2' ' HB3' ' A' ' 101' ' ' TYR . 92.2 m-85 -130.28 155.33 46.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.934 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.9 m -134.93 139.92 46.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 118' ' ' ARG . 24.6 ttt180 -111.47 110.32 20.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.76 0.314 . . . . 0.0 111.757 -172.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.797 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 34.3 m-85 -103.12 164.2 11.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -67.81 -69.42 0.32 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.583 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.601 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 15.1 t70 -115.21 167.96 10.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.975 -174.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.752 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 60.8 tttp -56.28 -32.07 64.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.601 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 6.7 ptm180 -54.15 -42.47 69.61 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.198 0.523 . . . . 0.0 111.239 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.797 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 18.9 m-20 -79.61 -36.04 38.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.377 0.608 . . . . 0.0 109.978 -175.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.593 ' HB2' ' HB ' ' A' ' 71' ' ' THR . . . -74.26 -40.16 62.52 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.896 -175.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.752 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 1.7 mm-40 -76.37 -36.16 58.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.448 -175.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 94' ' ' TYR . 2.3 t70 -59.4 -39.36 83.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.771 0.796 . . . . 0.0 109.312 176.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.28 9.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.353 -1.294 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.728 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.76 -42.5 84.16 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 111.013 -177.269 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.511 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 26.6 t70 -66.28 -42.62 88.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.18 62.16 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.238 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.591 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 26.0 tpp -86.28 -14.8 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.278 -174.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.19 87.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 171.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.67 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 114.96 26.43 3.55 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.186 -170.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.97 134.95 53.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.402 0.281 . . . . 0.0 110.954 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 16.0 t -97.99 105.72 17.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.111 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.572 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -87.82 -8.46 55.89 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.221 179.078 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.495 ' N ' HD13 ' A' ' 137' ' ' LEU . 3.6 t70 -159.58 -76.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.17 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.41 24.89 1.86 Allowed Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.597 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 12.5 tpp180 -147.05 130.93 17.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.844 -0.678 . . . . 0.0 110.084 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.673 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -76.67 106.32 8.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 167.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.6 mm? -56.47 146.89 23.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 74.5 ttt180 -95.94 107.78 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 32.6 t -118.15 113.1 41.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.449 0.642 . . . . 0.0 110.63 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.37 170.51 13.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.19 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.2 tpp -72.46 118.83 15.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -91.53 105.28 17.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.369 0.604 . . . . 0.0 110.964 -176.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -121.56 -17.16 7.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.97 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -134.18 176.27 8.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.529 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 88.45 -61.72 3.85 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 152' ' ' PRO . 15.5 mmm-85 -133.1 91.58 27.83 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.959 0.409 . . . . 0.0 110.064 174.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 151' ' ' ARG . 37.4 Cg_endo -65.53 162.94 31.84 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 123.093 2.529 . . . . 0.0 111.489 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.18 105.7 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.763 2.309 . . . . 0.0 112.212 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -82.71 -83.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 32.9 m 77.4 -1.59 2.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.394 165.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -91.05 -23.02 20.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 168.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -150.42 112.05 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 162.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.15 -172.309 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.658 0.266 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.25 109.76 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' THR . 5.4 m-85 -99.31 131.53 45.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.622 -177.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HB3' HG22 ' A' ' 51' ' ' THR . 17.1 ttmt -105.48 134.28 48.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.186 0.517 . . . . 0.0 111.557 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 30' ' ' PHE . 62.1 tp -102.43 123.92 47.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.028 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.459 HD13 ' HG3' ' A' ' 15' ' ' GLU . 46.0 mm -102.95 106.69 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.547 174.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.651 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.0 mp -90.85 104.46 17.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.008 0.433 . . . . 0.0 109.926 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.636 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.4 t-20 -94.84 43.13 1.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.103 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.808 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -71.97 152.43 48.7 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.719 -175.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -75.63 -28.95 59.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -96.41 -39.34 9.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.287 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.56 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 3.0 tm? -133.8 107.93 8.18 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 111.183 -175.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 47.1 mtmt -93.68 125.08 38.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 168.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.42 164.5 29.03 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.938 -1.125 . . . . 0.0 113.147 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HE2' ' A' ' 4' ' ' LYS . 30.7 tt0 -147.92 122.94 10.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -161.35 166.11 27.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.541 0.21 . . . . 0.0 110.644 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 4' ' ' LYS . 55.1 p -131.25 161.09 33.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.278 0.561 . . . . 0.0 111.755 -176.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -142.24 147.37 36.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.766 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.47 94.69 7.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -99.07 128.76 45.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.386 -172.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.03 -26.44 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.357 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -146.69 155.1 42.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.202 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.01 74.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -69.31 -33.64 73.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.432 . . . . 0.0 110.407 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 m -67.84 -39.4 83.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.778 174.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.46 -52.6 57.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.127 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.82 -34.61 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.264 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -60.44 -46.06 91.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 25' ' ' THR . 32.4 t -71.23 -38.13 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.21 0.529 . . . . 0.0 110.356 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.67 -30.31 71.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.403 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.3 mttt -74.26 -23.92 59.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -70.06 -37.3 75.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 0.0 109.808 174.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' HD1' HD21 ' A' ' 7' ' ' LEU . 27.5 t80 -73.43 -45.94 51.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.545 176.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.18 -53.49 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.15 -34.45 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.489 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.97 -40.64 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 110.771 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.56 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 42.6 m-80 -87.16 -11.38 50.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.339 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 -6.05 74.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.948 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG23 ' HG3' ' A' ' 56' ' ' GLU . 2.0 p -95.82 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.222 0.534 . . . . 0.0 111.647 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.4 91.86 3.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.9 -151.7 19.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.841 -173.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.53 107.31 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.62 -0.29 . . . . 0.0 110.295 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -78.16 105.55 9.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.743 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 47.6 p -112.34 149.31 32.61 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -132.04 128.32 38.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -89.45 124.09 34.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.556 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -85.68 -8.91 57.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.09 0.472 . . . . 0.0 110.238 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.1 -60.28 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -92.57 -6.45 49.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.265 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.82 39.17 20.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.415 0.626 . . . . 0.0 110.459 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 4' ' ' LYS . 10.6 p -104.84 131.85 51.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.898 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HD1' ' HE2' ' A' ' 30' ' ' PHE . 45.2 m-85 -95.0 145.17 25.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 28.1 m -134.39 126.43 29.56 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.651 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -103.08 103.15 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 170.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.636 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 57.6 m -85.14 96.01 9.32 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.808 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 3.5 tm-20 -83.92 120.05 25.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 135.06 108.19 0.96 Allowed Glycine 0 N--CA 1.44 -1.078 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -175.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -50.77 125.93 14.52 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.804 0.442 . . . . 0.0 111.419 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.74 109.53 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.775 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.08 101.66 14.41 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' HB2' ' SD ' ' A' ' 65' ' ' MET . 31.0 p80 -90.1 105.65 17.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.635 0.731 . . . . 0.0 111.181 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -145.7 105.14 3.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.065 175.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 72.48 -42.71 0.54 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.011 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -115.22 123.98 50.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.414 ' SD ' ' HB2' ' A' ' 61' ' ' HIS . 26.5 ptm -168.73 -179.53 3.81 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.623 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t70 70.46 138.93 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.885 0.741 . . . . 0.0 111.389 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 m -67.75 105.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.543 0.687 . . . . 0.0 111.343 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -76.59 -24.19 53.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.44 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.72 -52.09 0.39 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.821 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.602 ' HB3' ' HE ' ' A' ' 118' ' ' ARG . 22.9 mtt 48.8 55.35 9.29 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.474 0.654 . . . . 0.0 110.725 -173.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 m -61.0 105.67 0.5 Allowed 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.91 -174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 m -87.73 150.56 23.52 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.351 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.882 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -116.3 141.66 47.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.874 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.33 113.21 25.75 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.687 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.665 HG23 HD11 ' A' ' 78' ' ' LEU . 2.9 m -107.53 123.35 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 172.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -117.39 165.96 12.89 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.787 -170.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 64.31 43.52 4.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.691 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 HG23 ' A' ' 75' ' ' VAL . 7.2 mp -75.71 166.02 24.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 111.623 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 81' ' ' ARG . 29.9 p -94.57 11.37 31.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.177 -171.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 72.43 -37.27 0.38 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.428 0.691 . . . . 0.0 111.784 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 79' ' ' THR . 11.4 ptm180 -71.07 -15.94 62.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.594 ' HB ' HD23 ' A' ' 78' ' ' LEU . 23.8 m -67.3 113.78 5.49 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.205 176.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.578 ' O ' ' HB ' ' A' ' 86' ' ' THR . 35.0 m -93.67 153.38 41.17 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.39 -175.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.12 11.74 0.15 Allowed 'Trans proline' 0 N--CA 1.48 0.705 0 C-N-CA 123.572 2.848 . . . . 0.0 114.77 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.43 -27.3 8.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 168.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.1 m -52.0 -57.1 10.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.277 175.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 102' ' ' ILE . 16.7 mt -66.12 -31.59 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.419 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.539 ' HG2' HG13 ' A' ' 100' ' ' VAL . 49.2 mtm180 -59.45 -53.04 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -56.82 -45.23 82.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.228 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 86' ' ' THR . 2.3 t -74.79 -51.05 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.82 0.343 . . . . 0.0 111.695 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.654 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 31.4 m-85 -67.94 -33.38 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -173.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 9.1 pt-20 -59.88 -18.88 47.91 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.743 0.306 . . . . 0.0 111.776 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -37.95 86.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.242 0.544 . . . . 0.0 110.445 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -85.22 -34.59 21.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.768 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.452 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -162.54 179.45 37.83 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -81.66 97.52 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.486 0.643 . . . . 0.0 110.879 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.6 p -87.37 131.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 175.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.94 -44.58 5.97 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.486 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -162.78 146.17 11.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.539 HG13 ' HG2' ' A' ' 88' ' ' ARG . 5.4 m -123.27 144.99 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -119.88 112.12 18.81 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.733 HD11 ' HG ' ' A' ' 87' ' ' LEU . 37.4 mt -114.99 93.17 33.65 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.941 0.4 . . . . 0.0 110.219 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 91.0 Cg_endo -80.69 135.58 10.34 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.661 2.241 . . . . 0.0 112.533 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -130.03 -46.95 1.12 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.723 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HB3' ' H ' ' A' ' 106' ' ' ARG . 1.0 OUTLIER 56.89 -155.23 0.32 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.995 170.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HG2' ' H ' ' A' ' 107' ' ' TYR . 3.4 ttm180 -161.62 -165.25 1.25 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -175.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.499 ' H ' ' HG2' ' A' ' 106' ' ' ARG . 50.0 m-85 69.28 -165.8 0.18 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.658 0.599 . . . . 0.0 111.1 174.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -100.01 -29.65 12.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -171.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -74.37 -70.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.705 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -114.14 102.1 9.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.797 0.332 . . . . 0.0 111.55 -174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -159.41 95.76 1.25 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.699 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 162.06 40.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.53 178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.62 104.33 3.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.99 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.548 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 28.6 p90 -159.51 173.12 16.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.505 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -160.82 167.25 27.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.205 0.526 . . . . 0.0 111.74 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.445 ' HE2' ' HE2' ' A' ' 114' ' ' PHE . 97.2 m-85 -130.5 145.68 51.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.882 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -126.88 127.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.602 ' HE ' ' HB3' ' A' ' 70' ' ' MET . 14.0 ttt180 -108.61 109.83 21.14 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.051 -172.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.515 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 39.5 m-85 -94.15 168.77 10.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.542 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -64.69 -49.98 68.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.767 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.751 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.7 t70 -141.16 169.31 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.164 -174.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -61.82 -27.49 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.43 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.751 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.8 ptp180 -56.82 -41.49 77.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.944 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.0 m-20 -79.78 -33.16 40.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.41 0.624 . . . . 0.0 110.133 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' CB ' HD21 ' A' ' 73' ' ' LEU . . . -72.82 -33.4 66.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.358 -173.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.594 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.77 -54.61 43.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.243 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -61.99 -27.31 68.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.414 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 91' ' ' PHE . . . -80.48 -53.01 6.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.67 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.594 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -66.94 -29.81 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 111.078 -175.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.413 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 18.5 t70 -72.64 -43.79 62.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.491 . . . . 0.0 109.941 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.78 -49.66 24.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.135 -174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.78 ' HB3' HG21 ' A' ' 144' ' ' VAL . 31.1 tpp -79.14 -11.8 59.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.807 -172.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.9 95.75 2.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.583 ' HA2' ' OE1' ' A' ' 141' ' ' GLU . . . 100.63 24.92 8.95 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.352 -171.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.684 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -116.57 131.89 56.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 122.709 0.404 . . . . 0.0 111.2 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.679 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.4 t -86.99 114.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.24 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.46 -18.62 35.31 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.354 178.166 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.535 ' HB2' HD22 ' A' ' 137' ' ' LEU . 9.8 t70 -160.6 -73.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.801 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.18 20.94 3.16 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.679 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.4 tpp180 -146.53 130.75 17.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.832 -0.684 . . . . 0.0 110.191 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.684 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.2 OUTLIER -76.8 120.47 22.0 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 164.625 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -69.03 154.42 42.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.029 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.54 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -106.37 102.65 12.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 171.197 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.78 HG21 ' HB3' ' A' ' 132' ' ' MET . 11.2 t -111.52 113.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.486 . . . . 0.0 111.071 -171.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -129.54 162.71 27.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.125 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.568 ' O ' ' HD2' ' A' ' 153' ' ' PRO . 0.1 OUTLIER -58.68 125.57 23.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 111.044 178.509 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.54 16.53 16.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.016 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -56.17 118.81 5.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.436 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -62.21 -16.61 54.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -60.83 -39.41 96.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.815 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -167.67 95.0 0.64 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 121.008 0.433 . . . . 0.0 110.477 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -81.65 115.98 2.85 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.871 2.381 . . . . 0.0 111.728 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 146' ' ' MET . 54.1 Cg_exo -52.63 -60.24 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.679 2.253 . . . . 0.0 111.823 177.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.8 t0 51.87 86.08 0.04 OUTLIER 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.965 0.791 . . . . 0.0 110.792 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 14.8 m -77.25 -12.81 59.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.259 -0.882 . . . . 0.0 113.246 -165.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -77.69 -2.29 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.083 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -81.78 108.15 15.08 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.394 -177.831 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.967 0.413 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.583 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 49.1 tt0 -90.07 97.17 11.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.969 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 17' ' ' THR . 18.4 m-85 -84.26 135.53 34.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.792 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.618 ' HB3' HG22 ' A' ' 51' ' ' THR . 3.1 tppp? -91.6 126.45 36.69 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.184 174.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 52' ' ' PHE . 57.6 tp -97.55 121.89 39.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.483 172.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mm -94.39 104.07 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.116 0.484 . . . . 0.0 109.704 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.899 ' HB3' HD13 ' A' ' 12' ' ' LEU . 14.5 mt -83.07 99.46 9.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.298 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.598 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 40.9 t30 -109.09 40.86 1.74 Allowed 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.802 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -83.23 173.58 51.93 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.351 -169.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 18.7 pttm -81.43 -28.49 34.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -41.75 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -136.92 165.36 26.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.976 -176.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 81.6 tttt -148.89 94.97 2.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 170.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.654 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.95 -175.6 22.29 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.34 -174.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE ' ' A' ' 4' ' ' LYS . 44.2 mt-10 -130.95 143.06 50.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -152.44 157.53 41.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.764 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 39.9 p -133.12 152.01 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 111.314 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.426 HG22 ' CE1' ' A' ' 30' ' ' PHE . 9.5 t -136.53 139.71 42.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.432 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 96.17 3.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.39 141.01 39.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.319 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -79.03 -23.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.037 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -149.22 157.93 43.76 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.41 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.74 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -75.13 -41.1 59.12 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.758 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.97 87.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.316 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -62.85 -28.93 70.36 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.791 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -67.18 -46.71 73.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.49 -37.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.166 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.8 m-30 -66.34 -35.68 80.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.116 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -68.47 -37.78 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.145 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.5 -48.27 80.31 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.35 -48.35 82.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.31 82.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.44 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -67.76 -36.65 80.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.16 -40.89 82.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.673 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -73.62 -38.19 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.519 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.3 23.55 4.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.48 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 12' ' ' LEU . 2.4 p -105.49 124.26 60.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.1 0.476 . . . . 0.0 110.952 177.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -119.83 85.26 2.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.62 171.52 18.35 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.214 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.52 108.74 3.92 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -68.53 112.19 5.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 p -130.34 119.25 22.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.259 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HE2' ' A' ' 3' ' ' TYR . 60.1 t80 -99.75 130.36 45.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 0.0 110.603 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -108.94 117.29 33.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.66 -32.75 66.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.248 -177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 -47.69 79.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -103.9 -2.29 26.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.751 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 61.28 38.04 16.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.618 HG22 ' HB3' ' A' ' 4' ' ' LYS . 40.7 p -110.77 142.56 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 111.984 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' HD12 ' A' ' 5' ' ' LEU . 44.7 m-85 -103.19 112.98 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -102.63 121.41 42.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.546 0.212 . . . . 0.0 111.04 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.01 103.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.0 109.961 170.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.598 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.6 m -90.91 113.71 25.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.802 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 37.3 tt0 . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.879 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -92.87 148.67 21.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.01 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -110.71 149.76 30.02 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.0 tppp? -111.21 117.0 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.043 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.584 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -106.75 127.32 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -126.88 174.94 8.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.591 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 64.29 17.3 10.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -171.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 115' ' ' ALA . 28.8 tp -63.02 133.42 54.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.385 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.466 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 2.2 p -71.54 141.3 50.1 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.422 176.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -74.82 -5.55 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 0.0 111.554 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HG2' ' HB ' ' A' ' 79' ' ' THR . 15.7 ptm180 -88.33 -0.47 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.95 0.405 . . . . 0.0 110.47 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.569 HG21 HD11 ' A' ' 78' ' ' LEU . 13.3 m -76.79 131.56 38.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.823 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.745 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.2 m -102.12 149.77 36.88 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.757 ' HA ' HD12 ' A' ' 102' ' ' ILE . 73.1 Cg_exo -49.08 -46.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.897 2.398 . . . . 0.0 113.019 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.26 -33.72 59.17 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.287 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.745 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.4 m -57.88 -57.13 14.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.002 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 91' ' ' PHE . 32.9 mt -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.577 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.431 ' HB2' HG21 ' A' ' 100' ' ' VAL . 63.9 ttt180 -58.77 -43.67 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.42 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -64.4 -37.81 88.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.217 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 86' ' ' THR . 11.4 t -74.44 -54.71 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 37.7 m-85 -61.6 -32.94 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.429 ' HA ' HG12 ' A' ' 97' ' ' VAL . 10.3 pt-20 -63.55 -13.16 38.7 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.04 -33.02 45.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.195 0.522 . . . . 0.0 110.443 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.38 -32.51 24.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.195 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -164.28 172.36 40.05 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -76.45 98.78 4.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.8 p -90.48 140.78 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.187 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.51 -50.18 3.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.19 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -157.72 165.8 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 88' ' ' ARG . 21.4 m -131.06 143.08 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.141 0.496 . . . . 0.0 110.803 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -121.61 93.79 4.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.997 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 84' ' ' PRO . 35.4 mt . . . . . 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.808 0.337 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . -148.3 160.55 42.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.987 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -121.3 145.3 48.01 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 1.01 HG22 ' HB2' ' A' ' 73' ' ' LEU . 3.0 m -132.18 131.73 61.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -108.58 117.34 33.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.929 0.395 . . . . 0.0 111.111 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.578 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 3.8 m-85 -99.96 168.34 9.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.474 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -56.7 -60.65 3.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.276 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.2 t70 -143.97 169.87 16.99 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 78.3 tttt -58.59 -33.38 69.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 0.2 OUTLIER -54.42 -37.36 65.02 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.915 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.541 ' CB ' ' HD2' ' A' ' 119' ' ' PHE . 10.2 m-20 -79.42 -34.32 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.312 0.577 . . . . 0.0 110.037 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -73.52 -31.71 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.323 -175.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.8 mt-10 -58.75 -49.89 75.96 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.388 0.43 . . . . 0.0 110.584 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -62.45 -37.79 87.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.09 -53.11 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -174.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.584 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -62.14 -38.42 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 -176.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.584 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 24.1 t70 -71.33 -41.83 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.744 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.85 -52.67 12.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.686 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 59.7 mtp -83.79 1.04 44.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.592 -167.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.42 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 18.5 t70 -71.33 86.74 0.82 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 165.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.705 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.03 23.92 4.08 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.496 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -99.58 131.19 45.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.168 0.187 . . . . 0.0 110.5 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.65 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.0 t -95.84 113.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.696 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.635 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -85.44 -15.94 41.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 110.283 178.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.488 ' N ' HD13 ' A' ' 137' ' ' LEU . 19.3 t70 -164.95 -70.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.95 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.0 35.47 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.65 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 2.3 tpm_? -156.48 127.65 6.97 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.184 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.705 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 29.3 mt-10 -78.69 113.18 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 168.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.4 mm? -63.98 144.84 56.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 110.995 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.42 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 18.9 tpp180 -92.01 86.58 5.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 30.5 t -96.18 117.92 41.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.12 164.9 21.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 51.6 ttm -79.86 117.63 20.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 121.254 0.55 . . . . 0.0 110.363 -178.668 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mmm . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -83.03 100.34 10.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.607 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.51 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 27.7 m-85 -93.54 137.47 32.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.901 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 51' ' ' THR . 33.2 ttmt -110.46 138.18 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.202 0.525 . . . . 0.0 111.547 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 30' ' ' PHE . 59.2 tp -99.24 121.69 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.568 174.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.3 mm -95.48 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.412 0.625 . . . . 0.0 109.515 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.677 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 11.1 mt -81.02 118.31 22.38 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.107 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 15.5 t-20 -128.53 58.88 1.55 Allowed 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 177.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.68 -153.51 29.75 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.506 -170.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.663 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.5 -63.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.223 0.535 . . . . 0.0 110.038 -177.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.7 p -114.28 -37.69 4.31 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.45 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.702 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.53 128.95 34.0 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 122.365 1.079 . . . . 0.0 111.128 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.7 mtpm? -150.79 91.4 1.72 Allowed 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.619 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.677 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.56 -174.07 19.92 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.888 -174.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 13.7 mp0 -123.94 146.25 48.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.738 0.304 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -155.94 154.69 31.55 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 4' ' ' LYS . 66.5 p -126.69 165.9 18.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 t -146.25 151.99 38.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.828 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.53 99.53 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.13 134.27 54.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.997 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.93 -19.62 16.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.726 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -158.99 172.12 18.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.944 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -62.67 -46.29 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.034 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.13 -36.58 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 111.115 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -66.1 -42.84 88.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.18 0.514 . . . . 0.0 110.476 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.16 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.661 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.1 pt-20 -60.61 -37.52 81.67 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.085 -174.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.37 -39.11 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 111.365 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -72.87 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.156 0.503 . . . . 0.0 110.121 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.63 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.7 m-30 -65.5 -31.54 72.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.248 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 66.4 mttm -68.56 -33.71 74.57 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.95 177.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -44.33 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.91 -52.7 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.906 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.22 -46.66 89.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.535 -177.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.44 -36.88 82.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.92 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.09 -26.98 63.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.541 . . . . 0.0 110.568 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.444 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.9 OUTLIER -85.44 -37.59 19.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 176.194 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.09 -0.27 28.41 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.002 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.522 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 1.7 p -86.3 109.86 19.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.357 0.599 . . . . 0.0 111.434 -177.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -110.23 101.58 10.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.39 176.77 16.25 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.398 -0.905 . . . . 0.0 111.83 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.53 107.86 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 73.4 m95 -67.98 103.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.911 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.53 116.19 22.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.314 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' OH ' ' HD3' ' A' ' 50' ' ' LYS . 34.9 t80 -98.78 119.91 38.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -95.1 120.44 35.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 25.7 t0 -76.75 167.18 22.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.323 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 47' ' ' ASP . . . 76.96 -43.0 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.035 0.934 . . . . 0.0 111.147 -176.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.7 p -89.67 -16.62 30.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.72 0.295 . . . . 0.0 110.568 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.2 mmtt 60.37 42.69 14.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 4' ' ' LYS . 27.5 p -113.54 124.39 52.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.5 m-85 -95.91 112.09 23.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 40.6 m -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.41 102.78 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 170.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.484 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 7.6 m -92.72 100.63 13.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.422 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.653 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.682 HG21 ' HA ' ' A' ' 122' ' ' LYS . 7.1 p . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.335 0.588 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -140.83 131.37 25.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.699 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.051 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.7 mm? -105.32 152.27 23.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 1.3 tmmt? -128.23 109.4 11.44 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.079 0.466 . . . . 0.0 109.981 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 144' ' ' VAL . 0.8 OUTLIER -84.74 130.6 35.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.654 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -124.58 168.42 13.15 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.517 -174.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 30.5 m-80 62.62 31.13 16.94 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -169.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 82' ' ' THR . 39.6 tp -79.75 142.41 35.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.993 -174.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.3 p -86.39 141.98 28.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -80.67 59.25 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.717 0.77 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -147.56 16.0 1.13 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.502 -1.226 . . . . 0.0 107.864 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.455 HG23 HG21 ' A' ' 86' ' ' THR . 92.3 m -102.65 118.43 36.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.911 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.741 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.6 m -94.26 156.75 38.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.51 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.558 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.9 Cg_endo -50.2 -50.69 12.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.953 2.435 . . . . 0.0 112.796 177.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.2 -34.22 71.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.741 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -53.12 -56.58 15.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.719 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.556 HD22 ' HE2' ' A' ' 91' ' ' PHE . 22.2 mt -74.49 -36.14 63.26 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.035 -177.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -55.58 -50.34 70.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -54.96 -41.28 70.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.71 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 86' ' ' THR . 4.3 t -74.83 -55.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.0 111.321 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.556 ' HE2' HD22 ' A' ' 87' ' ' LEU . 35.4 m-85 -64.05 -36.06 82.78 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -171.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HA ' HG12 ' A' ' 97' ' ' VAL . 13.0 pt-20 -63.14 -12.67 29.19 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -72.82 -37.18 67.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.427 . . . . 0.0 110.392 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -83.45 -33.95 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.431 -173.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.22 179.93 34.48 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -83.73 98.17 9.53 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.6 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.4 p -91.72 121.7 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.765 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.18 -45.37 6.62 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.97 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -136.49 155.2 50.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.411 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.25 125.53 66.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.47 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 2.2 t80 -85.7 -60.02 2.14 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.124 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.735 HG12 ' HB1' ' A' ' 115' ' ' ALA . 10.6 mt . . . . . 0 N--CA 1.469 0.483 0 O-C-N 124.324 1.015 . . . . 0.0 110.254 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 19.2 p90 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.735 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -141.19 144.15 34.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.799 0.333 . . . . 0.0 111.489 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 35.7 m-85 -98.84 142.23 30.62 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 1.051 HG22 ' HB2' ' A' ' 73' ' ' LEU . 2.8 m -128.32 133.49 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.852 175.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.526 0.203 . . . . 0.0 111.169 -170.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.813 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 15.6 m-85 -102.67 165.91 10.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.9 -67.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.276 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.544 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 1.2 t70 -129.71 -175.92 3.75 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.316 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.682 ' HA ' HG21 ' A' ' 71' ' ' THR . 75.8 tttt -68.85 -32.01 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.544 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 29.4 ptt180 -55.45 -36.48 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.813 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 8.7 m-20 -77.29 -37.53 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.133 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -73.28 -41.53 63.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.411 -174.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 50.8 mt-10 -67.21 -39.96 86.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.202 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.2 -43.65 78.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.719 0.771 . . . . 0.0 109.625 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.81 -52.71 7.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.519 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.756 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.04 -32.58 73.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.263 . . . . 0.0 111.194 -176.005 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.49 -37.91 80.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.202 0.525 . . . . 0.0 109.874 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.86 -56.21 5.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.792 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.508 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 65.7 mtp -84.9 0.27 51.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.48 -169.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -67.29 93.11 0.3 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.665 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 104.81 40.08 2.22 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.343 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.4 119.26 38.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.397 0.279 . . . . 0.0 110.774 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 41.3 t -87.23 118.36 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.147 0.975 . . . . 0.0 111.309 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.695 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -107.43 -22.85 12.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.524 -174.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.35 -66.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.668 0.747 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -162.71 28.09 0.25 Allowed Glycine 0 CA--C 1.498 -0.994 0 N-CA-C 107.091 -2.403 . . . . 0.0 107.091 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.616 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.3 tpp180 -151.63 128.83 11.18 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 112.35 -1.925 . . . . 0.0 108.895 -170.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.665 ' HB2' ' HA2' ' A' ' 134' ' ' GLY . 1.5 pm0 -84.39 111.84 19.81 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -56.49 143.57 34.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.165 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.6 tpp180 -90.42 82.98 5.86 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 172.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 60.6 t -84.42 109.76 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.244 0.545 . . . . 0.0 110.377 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.28 179.3 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.975 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.3 mmt -73.41 141.33 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.359 0.6 . . . . 0.0 112.542 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.746 0.307 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -105.53 125.02 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.904 0.383 . . . . 0.0 110.076 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' THR . 27.7 m-85 -110.59 142.67 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.111 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.1 ttmt -112.98 127.52 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.067 0.46 . . . . 0.0 111.314 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 52' ' ' PHE . 43.1 tp -94.49 123.23 37.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 mm -98.84 104.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.716 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.6 mt -82.24 98.16 8.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 35.6 t-20 -100.69 57.73 0.91 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -92.4 -138.28 8.34 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.942 -173.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 49.2 mtpt -120.5 -59.41 1.77 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.336 0.589 . . . . 0.0 109.625 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.0 m -90.51 -28.79 18.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.417 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 37' ' ' ASN . 58.2 tp -109.41 116.96 32.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.114 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.22 97.44 3.6 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 173.02 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.716 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.89 170.37 29.98 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.915 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 5.1 mp0 -122.53 126.67 48.28 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -134.41 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' HE3' ' A' ' 4' ' ' LYS . 42.8 p -128.25 154.35 45.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.021 0.438 . . . . 0.0 111.324 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -136.46 143.19 43.73 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -85.26 75.39 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.24 136.7 32.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.006 -173.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 m -68.6 -31.43 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.154 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.42 163.39 32.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.541 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.97 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.07 72.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.493 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.0 m -73.0 -36.0 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.058 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.04 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.238 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.7 pt-20 -61.27 -37.49 83.35 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -51.3 -48.39 62.33 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.987 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.6 t -76.4 -38.05 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.183 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 21.5 m-30 -61.59 -36.06 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 0.0 110.033 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -71.38 -37.61 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.12 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.06 -47.15 87.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.85 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -61.08 -50.09 74.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.44 -48.8 73.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -60.72 -38.95 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.87 -29.39 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.848 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HB3' HD22 ' A' ' 12' ' ' LEU . 19.8 m-80 -90.14 -9.82 46.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.54 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.7 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.598 -0.81 . . . . 0.0 114.008 172.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -101.65 115.27 43.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.32 0.581 . . . . 0.0 111.036 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -126.7 107.46 10.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.87 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.03 -164.32 11.19 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.705 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.06 107.18 8.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -76.67 116.05 16.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.2 p -126.92 125.79 42.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.165 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -99.15 122.98 43.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.004 0.43 . . . . 0.0 109.98 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.02 115.7 28.36 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.76 -52.55 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.13 86.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -89.56 -10.98 44.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.26 32.66 12.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.328 0.585 . . . . 0.0 109.935 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 ' HB3' ' A' ' 4' ' ' LYS . 19.5 p -110.0 148.67 31.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.709 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' O ' HD12 ' A' ' 5' ' ' LEU . 60.3 m-85 -109.18 111.79 23.6 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.0 m -102.1 118.17 36.33 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -98.3 105.66 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.641 0.734 . . . . 0.0 109.5 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 4.8 m -93.52 108.46 20.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.971 -169.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' OE1' ' HD2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 0.0 109.611 175.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 122' ' ' LYS . 14.0 p . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 120.797 0.332 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 19.7 m -115.8 138.88 50.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.6 mm? -115.14 138.84 50.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.777 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.58 109.46 22.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.958 173.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.83 124.12 53.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 7.3 t70 -135.3 170.85 15.3 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.502 -167.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.91 27.26 15.99 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.806 0.813 . . . . 0.0 109.118 -171.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 137' ' ' LEU . 54.6 tp -79.05 151.67 31.33 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.203 -173.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.2 p -83.44 168.99 16.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.536 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -96.25 8.35 44.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.288 0.566 . . . . 0.0 109.98 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -104.03 -3.02 25.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.18 0.514 . . . . 0.0 110.361 175.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.494 HG23 HG21 ' A' ' 86' ' ' THR . 95.1 m -73.26 122.55 22.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.346 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.768 ' O ' ' HB ' ' A' ' 86' ' ' THR . 37.9 t -91.17 151.65 43.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.463 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.607 ' HA ' HD12 ' A' ' 102' ' ' ILE . 5.4 Cg_endo -51.13 -44.2 43.97 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.673 2.249 . . . . 0.0 111.903 173.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.87 -31.16 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.659 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.768 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -59.11 -59.26 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.65 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.734 ' HG ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mp -61.73 -40.12 93.96 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.525 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -57.05 -45.95 82.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.908 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -68.72 -44.63 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.365 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 86' ' ' THR . 4.1 t -73.36 -44.72 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.857 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.734 ' HE1' ' HG ' ' A' ' 87' ' ' LEU . 67.2 m-85 -73.19 -31.29 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.0 pt-20 -64.64 -13.74 55.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.737 0.303 . . . . 0.0 111.755 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -66.07 -46.26 78.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.548 . . . . 0.0 110.268 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.85 -37.89 20.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.499 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.673 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -144.78 166.63 27.36 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.769 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -78.39 90.82 4.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.977 0.418 . . . . 0.0 110.395 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.3 p -86.15 133.44 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.117 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.7 -48.38 5.26 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.142 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -157.66 170.52 22.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.15 156.33 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.428 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -133.95 110.53 9.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.919 0.39 . . . . 0.0 110.04 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 84' ' ' PRO . 24.1 mt . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 44.8 p90 . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.448 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -140.67 167.1 22.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.899 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -131.29 149.85 52.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.34 0.59 . . . . 0.0 111.461 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.699 HG22 ' HB2' ' A' ' 73' ' ' LEU . 11.5 m -131.35 139.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.455 176.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 118' ' ' ARG . 31.5 ttt180 -111.18 108.95 18.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.485 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 49.0 m-85 -92.27 168.73 11.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.076 0.465 . . . . 0.0 111.513 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.511 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 5.7 t60 -74.1 -56.71 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.861 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.656 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 19.9 t70 -129.91 174.53 9.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.604 ' HA ' HG21 ' A' ' 71' ' ' THR . 82.3 tttt -65.98 -29.4 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.656 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 3.4 ptm180 -53.17 -38.95 63.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.673 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.1 m-20 -75.74 -37.76 59.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.13 -177.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.403 ' HB2' ' OG1' ' A' ' 71' ' ' THR . . . -66.83 -43.87 82.61 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.82 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.513 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 41.9 mt-10 -68.95 -32.03 71.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.27 -44.88 82.34 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.644 0.735 . . . . 0.0 109.45 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.55 -48.11 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.36 -172.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.934 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -58.13 -37.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 -176.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.4 ' HB2' ' CE ' ' A' ' 129' ' ' MET . 13.1 t70 -76.06 -45.36 34.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.3 -44.0 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -171.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.873 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 31.1 ttm -86.12 -6.42 59.01 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -168.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.05 80.33 0.94 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.547 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 129.59 10.44 2.94 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.086 -170.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.873 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -96.85 139.94 32.15 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 122.489 0.316 . . . . 0.0 111.022 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.63 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.4 t -96.5 119.36 44.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.255 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.759 ' HB3' HD21 ' A' ' 142' ' ' LEU . 1.4 pt? -107.3 -31.2 8.3 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.809 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.412 ' H ' HD23 ' A' ' 137' ' ' LEU . 43.1 m-20 -153.93 51.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -175.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.35 73.01 Favored Glycine 0 C--O 1.229 -0.195 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.642 -174.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.4 OUTLIER -148.7 130.42 15.05 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 122.948 0.499 . . . . 0.0 110.07 -178.025 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 3.2 mp0 -78.98 114.16 17.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 169.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.2 mm? -49.98 132.24 22.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.517 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.449 ' HD3' ' HB3' ' A' ' 76' ' ' ASP . 44.0 ttt180 -91.28 99.56 12.52 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.807 HG12 HD12 ' A' ' 73' ' ' LEU . 10.4 t -111.15 125.43 68.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.143 0.497 . . . . 0.0 110.264 -170.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -127.73 139.41 52.7 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.677 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.1 ttt -72.88 117.24 14.35 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.182 0.515 . . . . 0.0 111.021 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -80.66 110.86 16.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.635 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -106.25 134.86 48.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 177.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HB3' HG22 ' A' ' 51' ' ' THR . 33.5 ttmt -108.61 135.14 50.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 111.506 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 46.9 tp -100.68 125.34 47.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.02 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.4 mm -103.68 99.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 12' ' ' LEU . 4.3 mp -85.35 102.48 13.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.703 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 10.1 t-20 -94.07 51.61 1.53 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.645 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -88.0 166.08 35.13 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.39 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -80.85 -36.66 31.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 0.0 109.872 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -97.26 -48.7 5.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 7' ' ' LEU . 2.1 tm? -110.56 103.46 12.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.37 0.605 . . . . 0.0 110.419 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.0 tttm -114.86 113.27 23.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.57 172.93 29.49 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.812 -1.185 . . . . 0.0 113.276 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.25 110.22 8.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.7 t -136.42 156.29 48.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.632 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 72.5 p -123.03 166.32 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -151.92 142.15 22.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -80.14 94.68 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.357 0.598 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.78 151.61 23.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.583 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -86.47 -27.44 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.836 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.31 164.84 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.937 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.59 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.65 -33.48 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.716 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -69.49 -41.66 75.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.092 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.27 -50.13 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.514 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.8 pt-20 -57.59 -33.58 68.34 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.459 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -61.16 -46.13 91.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.24 0.543 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -71.99 -38.27 63.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.444 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.0 m-30 -64.82 -34.91 79.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.116 177.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 96.4 mttt -67.17 -41.54 85.77 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.24 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.9 -42.56 94.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.23 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' HD1' HD21 ' A' ' 7' ' ' LEU . 25.1 t80 -62.82 -50.66 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.35 -49.61 73.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.399 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -67.07 -35.2 79.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.278 -175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.86 -40.99 88.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 30.7 m-80 -72.97 -34.81 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.36 -19.38 5.68 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.19 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.82 115.78 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.403 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -125.54 109.07 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.26 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.68 -168.61 11.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.859 -173.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 24.3 tp10 -71.47 124.55 24.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 94.1 m95 -89.75 98.48 11.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.172 0.511 . . . . 0.0 110.883 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -106.99 110.63 22.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.506 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.42 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 34.9 t80 -100.9 137.56 39.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.983 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.15 124.93 49.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.713 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.21 177.31 8.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.2 -43.61 0.55 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.698 0.799 . . . . 0.0 110.908 -174.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -90.76 -25.36 20.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.635 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.8 mmtt 63.03 46.04 4.95 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.289 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 4' ' ' LYS . 22.3 p -115.33 130.95 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.614 -177.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 49.6 m-85 -102.63 112.77 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.594 173.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.6 m -99.89 112.72 24.97 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 54' ' ' VAL . 8.6 p -106.17 105.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.692 0.758 . . . . 0.0 109.707 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.703 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 29.5 m -93.79 123.04 36.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.503 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.645 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 14.6 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.262 0.553 . . . . 0.0 111.044 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.633 HG21 ' HA ' ' A' ' 122' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 4.4 m -101.06 131.62 46.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.181 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.768 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.3 mm? -108.45 145.07 35.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.939 177.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 14.0 tptp -106.27 114.26 28.28 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.098 177.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG12 HG13 ' A' ' 144' ' ' VAL . 1.2 m -104.68 121.79 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.93 -178.09 4.06 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 54.96 35.32 24.28 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -171.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 142' ' ' LEU . 24.8 tp -89.3 154.96 19.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.597 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.4 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 57.5 p -86.59 155.93 20.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -177.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -72.2 -16.03 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.292 0.568 . . . . 0.0 110.233 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.463 ' HD2' ' OD1' ' A' ' 138' ' ' ASP . 5.1 ptp180 -95.47 13.67 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.318 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.483 HG22 HD13 ' A' ' 102' ' ' ILE . 88.6 m -82.78 121.11 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.375 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.854 ' O ' ' HB ' ' A' ' 86' ' ' THR . 18.8 m -97.53 154.5 37.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.705 ' HA ' HD12 ' A' ' 102' ' ' ILE . 50.7 Cg_exo -52.94 -43.52 56.03 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.323 2.015 . . . . 0.0 112.88 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.88 -25.91 66.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.854 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -54.65 -56.89 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.977 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.2 mt -70.4 -30.94 67.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.359 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 84' ' ' PRO . 94.9 mtt180 -55.12 -53.79 51.48 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 89' ' ' ARG . 40.6 ttp-105 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.482 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 86' ' ' THR . 2.2 t -74.11 -47.78 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.082 0.468 . . . . 0.0 111.244 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.604 ' HE2' HD22 ' A' ' 87' ' ' LEU . 37.9 m-85 -71.12 -36.51 72.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.363 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HA ' HG12 ' A' ' 97' ' ' VAL . 10.4 pt-20 -58.83 -20.53 51.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -67.85 -42.21 81.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.267 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.3 -39.44 20.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.29 -175.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -143.58 166.92 26.76 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.87 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -81.66 86.44 6.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.612 . . . . 0.0 110.521 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -76.6 141.35 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.351 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.66 -35.48 1.4 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.046 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -150.53 119.36 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 111.047 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.87 156.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.801 0.334 . . . . 0.0 110.223 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -136.5 94.54 3.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.038 0.447 . . . . 0.0 110.274 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 84' ' ' PRO . 23.2 mt . . . . . 0 C--N 1.321 -0.643 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 168.0 28.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.604 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.7 m-85 -126.88 152.32 47.22 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.991 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 73' ' ' LEU . 9.2 m -136.47 137.99 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 71' ' ' THR . 79.2 mtt180 -118.8 128.56 54.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.328 0.585 . . . . 0.0 112.008 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.57 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 56.9 m-85 -107.76 170.27 8.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.515 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -54.9 -65.23 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.152 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.5 t70 -130.68 169.16 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.943 -176.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.633 ' HA ' HG21 ' A' ' 71' ' ' THR . 41.7 tttm -61.66 -26.38 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.62 0.248 . . . . 0.0 110.508 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 18.8 ptp180 -59.2 -34.94 72.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.067 0.461 . . . . 0.0 110.517 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 15.3 m-20 -79.29 -31.55 43.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.312 0.577 . . . . 0.0 109.956 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.23 -40.07 46.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.29 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.492 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 42.0 mt-10 -70.63 -32.83 70.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 0.0 110.818 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.72 -41.7 97.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.23 -52.86 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.291 -173.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.712 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.47 -33.73 73.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.738 0.304 . . . . 0.0 111.174 -175.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.81 -45.52 42.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.0 110.502 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.1 59.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.138 -174.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.585 ' HE1' HG12 ' A' ' 90' ' ' VAL . 27.4 tpp -74.55 -18.33 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -175.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.5 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 30.2 t70 -73.42 82.05 1.43 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 130.98 19.02 1.3 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.44 -170.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -107.72 114.58 28.64 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 122.502 0.321 . . . . 0.0 111.398 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.906 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.7 t -82.46 94.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.915 0.388 . . . . 0.0 110.216 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.58 ' O ' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -83.94 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.578 0.704 . . . . 0.0 110.532 -178.076 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.463 ' OD1' ' HD2' ' A' ' 81' ' ' ARG . 4.2 t70 -160.68 -71.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.917 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.0 25.53 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.906 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -163.16 165.18 24.81 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.729 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 26.3 mt-10 -96.69 14.48 24.83 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.946 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.652 ' H ' ' HG2' ' A' ' 140' ' ' ARG . 1.9 mm? 51.63 -166.76 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.677 -171.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.5 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 12.1 tpp180 -146.67 93.37 2.28 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 168.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 22.0 t -105.08 115.27 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -129.69 168.35 16.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 53.6 tpp -71.69 122.88 21.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.32 -0.693 0 CA-C-O 121.182 0.515 . . . . 0.0 110.946 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -81.6 112.05 18.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.94 149.06 24.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.235 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 51' ' ' THR . 27.8 ttmt -111.86 136.34 51.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.171 0.51 . . . . 0.0 111.089 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 30' ' ' PHE . 60.3 tp -102.96 123.98 47.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.957 176.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 48.7 mm -104.05 101.85 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 12' ' ' LEU . 4.1 mp -89.64 100.12 12.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.858 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.4 t-20 -97.74 49.49 1.03 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.456 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -83.07 -170.7 46.47 Favored Glycine 0 N--CA 1.44 -1.055 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.745 -174.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -89.25 -49.18 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.018 0.437 . . . . 0.0 110.434 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 m -104.18 -10.25 18.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.904 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -134.07 118.71 18.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.722 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.7 tttm -142.77 96.75 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.162 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.0 28.41 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -123.42 126.06 46.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -139.23 165.01 28.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.364 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -137.1 163.89 29.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.359 . . . . 0.0 111.239 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -154.97 146.54 23.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.694 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.26 99.56 10.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.2 149.59 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.976 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.89 -23.8 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.758 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -154.56 158.26 39.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.408 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.06 84.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.641 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -66.62 -27.28 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 29' ' ' VAL . 24.7 m -72.5 -46.93 52.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.872 175.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.442 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.4 pt-20 -61.58 -34.07 74.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -175.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -68.0 -37.96 82.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.361 . . . . 0.0 110.76 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 25' ' ' THR . 22.6 t -72.17 -34.69 50.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.433 0.635 . . . . 0.0 109.823 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.655 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.2 m-30 -66.84 -34.97 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.989 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.03 -35.9 79.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.27 -48.56 81.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.101 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.437 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.4 t80 -60.14 -51.12 70.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.432 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -63.11 -36.49 83.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.33 -36.81 77.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.64 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.2 m-80 -84.05 -8.97 58.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.768 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.44 18.49 52.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.534 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.56 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 4.7 p -121.42 129.0 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.141 0.496 . . . . 0.0 111.789 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.94 104.51 3.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.98 -151.27 8.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.888 -173.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 39.3 tt0 -70.03 96.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 77.6 m95 -68.85 112.08 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.845 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.41 114.34 16.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.44 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 49.0 t80 -98.75 131.72 44.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.296 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -111.67 116.54 30.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.362 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.44 -20.81 59.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.099 -176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -53.67 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.973 0.416 . . . . 0.0 110.847 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -86.45 -2.21 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.527 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.55 34.11 18.02 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.52 0.512 . . . . 0.0 110.422 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 24.0 p -115.21 143.31 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.522 ' O ' HD12 ' A' ' 5' ' ' LEU . 62.8 m-85 -109.34 111.78 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 166.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.411 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 59.1 m -103.17 124.81 49.29 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 121.336 -0.146 . . . . 0.0 110.768 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.74 103.45 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 170.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 29.5 m -86.55 100.34 12.33 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.055 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -105.9 123.81 48.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.084 0.469 . . . . 0.0 111.513 -173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.56 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 3.3 mm? -93.55 156.23 16.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.802 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 1.075 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 11.3 tmtt? -127.26 109.85 12.24 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.758 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.502 HG12 HG22 ' A' ' 144' ' ' VAL . 2.3 m -100.71 138.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.581 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.49 178.7 6.78 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.12 29.55 17.59 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.785 0.802 . . . . 0.0 109.041 -170.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.625 HD11 HG21 ' A' ' 82' ' ' THR . 19.6 tp -73.8 133.45 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.11 -172.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 140' ' ' ARG . 2.3 p -70.09 152.85 43.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.05 0.452 . . . . 0.0 111.682 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -82.74 21.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.488 -170.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' HD3' ' OD2' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -133.97 9.91 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.147 0.498 . . . . 0.0 110.231 175.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.625 HG21 HD11 ' A' ' 78' ' ' LEU . 54.2 m -78.85 112.12 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.13 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.782 ' O ' ' HB ' ' A' ' 86' ' ' THR . 13.8 m -92.53 158.34 38.63 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.329 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -55.84 -43.25 58.98 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.361 2.041 . . . . 0.0 112.139 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.25 -34.43 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 109.89 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.782 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -61.37 -56.55 19.03 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.196 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.626 HD22 ' HE1' ' A' ' 91' ' ' PHE . 15.6 mt -69.24 -37.43 77.97 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.649 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HA ' HG11 ' A' ' 100' ' ' VAL . 39.3 ttp180 -54.91 -51.24 66.65 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -56.76 -41.69 78.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.833 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 86' ' ' THR . 4.9 t -73.68 -49.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.943 0.402 . . . . 0.0 111.096 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.626 ' HE1' HD22 ' A' ' 87' ' ' LEU . 34.7 m-85 -71.31 -27.76 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.732 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -71.98 -6.93 45.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.95 0.405 . . . . 0.0 110.959 -179.548 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -78.27 -39.6 39.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.112 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.38 -35.4 25.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.836 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.23 175.79 31.54 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -91.41 99.27 12.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.02 0.41 . . . . 0.0 110.813 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 1.8 m -86.41 143.49 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.788 0.328 . . . . 0.0 110.288 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.79 -32.24 5.44 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.071 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -156.23 128.58 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.646 0.26 . . . . 0.0 110.583 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.578 HG12 HG13 ' A' ' 117' ' ' VAL . 27.2 m -109.94 142.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -138.48 116.23 11.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.482 HG12 ' HB1' ' A' ' 115' ' ' ALA . 27.0 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.871 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 39.7 p90 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.482 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -144.0 156.21 44.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.97 0.414 . . . . 0.0 111.31 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -113.76 142.07 46.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.797 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 100' ' ' VAL . 21.2 t -131.82 117.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.122 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -102.54 122.26 44.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.799 0.333 . . . . 0.0 111.552 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.777 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 44.8 m-85 -106.06 167.53 9.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -63.27 -62.91 1.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.661 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.816 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.0 m-20 -119.78 -178.92 3.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.084 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 49.5 tttm -72.34 -28.35 62.99 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.816 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 3.5 ptp180 -56.0 -37.85 69.67 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 176.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.777 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 12.8 m-20 -72.9 -37.3 67.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.954 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.534 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -74.84 -38.34 62.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.314 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.1 mt-10 -65.28 -46.85 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.216 -177.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.06 -32.36 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.998 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.86 -53.66 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.56 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.74 -30.08 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.293 . . . . 0.0 111.163 -174.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.71 -46.94 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.186 0.517 . . . . 0.0 110.064 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.25 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.601 -174.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.752 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 57.8 mtp -92.16 1.89 56.93 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -164.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.76 84.2 2.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.43 27.44 2.85 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.003 -0.998 . . . . 0.0 111.303 -168.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.752 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -108.65 140.39 42.09 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 122.22 0.208 . . . . 0.0 111.042 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.9 t -95.69 111.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.808 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.58 -15.71 44.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.97 0.414 . . . . 0.0 110.24 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.556 ' N ' HD13 ' A' ' 137' ' ' LEU . 28.5 t70 -167.93 -68.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.048 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.35 32.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.844 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.704 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -160.43 138.01 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 122.501 0.32 . . . . 0.0 110.45 -178.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.9 mp0 -79.3 110.17 14.33 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -65.83 152.4 44.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.195 0.522 . . . . 0.0 111.325 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 21.1 ttm180 -99.51 94.05 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.502 HG22 HG12 ' A' ' 75' ' ' VAL . 23.6 t -98.14 110.12 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.028 0.442 . . . . 0.0 110.169 -176.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -117.19 155.79 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.211 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 14.4 mmt -66.89 117.6 9.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 1.075 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 121.441 0.638 . . . . 0.0 111.285 -174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.531 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.1 mmt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.138 0.494 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -84.32 91.82 7.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 75.4 m-85 -93.07 118.55 31.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.222 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 51' ' ' THR . 34.9 ttmt -112.2 136.99 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 63.6 tp -96.79 116.79 29.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -94.69 100.2 10.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.2 mp -87.54 99.5 12.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.314 -178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -97.41 72.84 2.4 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.375 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.08 177.23 33.75 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 119.5 -1.333 . . . . 0.0 112.138 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -64.74 -42.07 95.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.019 0.437 . . . . 0.0 109.959 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -120.23 -41.23 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.782 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 1.9 tm? -85.08 114.98 22.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.054 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.8 tttm -134.59 112.3 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.182 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.35 167.43 29.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.457 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 27.0 mt-10 -140.98 99.59 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -137.08 147.51 46.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.099 0.476 . . . . 0.0 111.838 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.614 HG22 ' HB2' ' A' ' 4' ' ' LYS . 71.5 p -100.45 163.74 12.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.666 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -135.03 0.65 2.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.811 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 1' ' ' MET . 47.3 mt-10 36.41 73.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.876 -173.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -86.08 153.17 22.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.113 -175.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -73.91 -30.84 29.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.058 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -134.66 162.72 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.932 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.48 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.03 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 29' ' ' VAL . 24.4 m -70.29 -39.03 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.056 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.78 -51.24 67.86 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 9.6 pt-20 -61.15 -39.11 88.85 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.811 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 49.1 tptt -54.79 -44.44 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.044 0.449 . . . . 0.0 111.471 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 25' ' ' THR . 48.0 t -70.25 -35.64 63.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.379 0.609 . . . . 0.0 110.42 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.1 m-30 -68.89 -30.95 69.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.318 177.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.44 -47.22 87.03 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.065 172.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -65.54 -30.14 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.596 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.62 -55.33 6.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.325 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.27 89.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.513 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.37 -39.51 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.605 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.71 -38.24 70.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.954 0.407 . . . . 0.0 110.828 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.782 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 31.1 m-80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.51 11.03 26.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.533 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.4 129.73 62.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.157 0.504 . . . . 0.0 111.411 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -136.54 86.93 2.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.238 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.61 -172.13 31.92 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.793 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.9 107.05 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.72 116.13 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 111.307 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -134.37 149.2 50.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.65 133.92 46.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.847 0.356 . . . . 0.0 110.689 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -97.06 115.62 27.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.671 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.027 0.441 . . . . 0.0 110.689 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.9 -68.11 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.208 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -82.99 -1.25 52.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 46.8 mmtm 61.5 32.53 18.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.325 0.583 . . . . 0.0 110.129 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 ' HB3' ' A' ' 4' ' ' LYS . 7.7 p -108.26 139.63 42.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.023 -174.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -101.16 145.03 29.32 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -138.04 124.18 20.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.567 0.222 . . . . 0.0 110.8 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 m -99.08 108.62 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.745 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.8 m -91.82 98.23 11.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.381 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.567 ' O ' ' HB2' ' A' ' 119' ' ' PHE . 11.1 m . . . . . 0 N--CA 1.448 -0.57 0 CA-C-O 121.245 0.545 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 m -87.11 153.31 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.604 ' HB2' HG22 ' A' ' 117' ' ' VAL . 10.4 mt -100.54 153.16 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.865 174.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -109.87 113.42 26.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.923 172.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.598 ' HB ' HG22 ' A' ' 144' ' ' VAL . 1.3 m -99.36 127.19 52.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -129.46 179.42 5.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 62.84 23.04 13.76 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -171.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 82' ' ' THR . 19.4 tp -68.55 124.19 22.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.608 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -115.79 79.08 1.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -168.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.52 ' C ' ' HD2' ' A' ' 81' ' ' ARG . 3.6 m-85 60.91 170.14 0.1 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.174 171.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HD2' ' C ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER 45.19 11.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 170.005 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.619 HG21 HD11 ' A' ' 78' ' ' LEU . 13.8 m -80.21 109.34 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.663 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.797 ' O ' ' HB ' ' A' ' 86' ' ' THR . 6.0 t -84.02 147.02 50.05 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.96 -57.31 2.44 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.439 2.76 . . . . 0.0 113.74 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.73 -23.22 67.07 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.624 0.25 . . . . 0.0 111.267 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.797 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -54.58 -50.7 67.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.894 174.088 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 22.9 mt -70.49 -43.71 69.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.739 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 -38.82 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.727 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 42.8 ttm180 -60.28 -45.46 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.318 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 86' ' ' THR . 2.8 t -73.67 -42.99 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -176.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.664 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 61.4 m-85 -69.79 -34.89 74.34 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -65.7 -16.83 64.13 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.007 0.432 . . . . 0.0 111.463 -176.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.33 -41.01 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.295 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.503 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 83.3 m-85 -84.46 -43.69 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.609 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -147.95 179.94 24.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.364 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -79.49 92.67 5.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.452 0.167 . . . . 0.0 111.053 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.14 131.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.126 0.488 . . . . 0.0 109.782 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.52 -53.88 1.04 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.639 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.12 143.44 50.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.667 0.27 . . . . 0.0 110.67 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 117' ' ' VAL . 13.2 m -129.59 142.93 42.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -135.9 122.68 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.508 HD13 HG22 ' A' ' 82' ' ' THR . 59.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.65 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.0 p90 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.518 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -138.37 161.42 36.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 111.449 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -122.69 140.57 52.72 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.738 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.604 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.9 m -134.09 122.56 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.485 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -93.83 116.12 28.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.276 -172.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.567 ' HB2' ' O ' ' A' ' 71' ' ' THR . 49.2 m-85 -98.33 168.46 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 111.404 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -64.06 -62.32 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.996 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.606 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 34.7 t70 -137.22 172.14 13.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.862 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 51.6 tttm -55.68 -34.3 64.91 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.304 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.606 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.9 ptp180 -57.0 -35.55 69.34 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.003 0.43 . . . . 0.0 111.177 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 12.6 m-20 -78.35 -36.75 45.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.477 0.656 . . . . 0.0 109.819 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.37 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.321 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 51.8 mt-10 -64.25 -49.91 70.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.697 0.284 . . . . 0.0 110.534 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 1.7 t70 -53.96 -39.02 65.59 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.848 0.832 . . . . 0.0 109.525 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.58 8.72 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.285 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.596 ' HB3' ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -64.27 -29.63 70.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 -174.113 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.34 -48.89 25.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.517 . . . . 0.0 110.193 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.37 -48.51 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.523 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.664 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 30.6 tpp -69.25 -20.21 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.454 -172.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.82 84.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 131.3 9.38 2.67 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.855 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.663 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.12 127.5 38.7 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 122.966 -0.138 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.542 HG22 ' HG3' ' A' ' 141' ' ' GLU . 15.0 t -98.25 98.32 7.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.416 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.559 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -79.49 -18.01 52.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -177.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.559 ' N ' HD13 ' A' ' 137' ' ' LEU . 31.3 t70 -153.09 -70.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -147.56 28.94 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.56 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.665 ' HD3' ' HB3' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -160.64 133.87 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.783 0.433 . . . . 0.0 110.184 -178.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.6 mp0 -69.58 115.72 9.15 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -59.73 136.34 57.97 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.93 90.51 7.92 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.598 HG22 ' HB ' ' A' ' 75' ' ' VAL . 24.4 t -102.13 131.58 49.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.196 -170.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -131.24 176.72 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.331 -171.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.589 ' HE2' ' HG2' ' A' ' 129' ' ' MET . 16.1 mmt -80.29 117.66 21.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.003 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 110.817 -178.658 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.411 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 20.4 ttt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -85.39 103.9 14.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.411 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 20.1 m-85 -97.42 137.25 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.607 176.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.715 ' HB3' HG22 ' A' ' 51' ' ' THR . 34.7 ttmt -110.87 142.97 42.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.53 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.1 tp -110.52 120.99 44.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.247 175.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.95 99.67 9.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 12' ' ' LEU . 5.0 mp -80.41 99.6 8.05 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -96.04 33.05 1.78 Allowed 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -74.2 162.28 54.14 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.237 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -87.01 -25.08 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.063 0.458 . . . . 0.0 109.895 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -92.3 -13.68 29.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.089 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 7' ' ' LEU . 19.3 tp -164.93 121.93 1.54 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.197 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.5 tttm -114.7 115.05 26.47 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 171.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.489 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.92 157.27 27.2 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.163 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -127.57 106.09 8.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -133.42 163.35 29.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.506 0.193 . . . . 0.0 110.755 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.492 HG22 ' HB2' ' A' ' 4' ' ' LYS . 67.2 p -124.1 169.2 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.628 0.251 . . . . 0.0 111.171 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -149.1 151.88 35.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.077 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.3 97.89 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.27 137.8 47.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.233 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -84.74 -40.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 33.6 m-20 -106.24 157.44 17.58 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -38.7 81.74 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.93 -38.56 91.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.784 175.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 22' ' ' ASP . 26.3 m -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 110.404 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.21 -49.77 58.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.246 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 10.2 pt-20 -64.36 -26.45 68.48 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.46 -176.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.21 -50.7 72.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.324 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.3 -40.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.568 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-30 -64.36 -31.58 72.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.261 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -72.49 -35.02 68.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.97 -48.34 74.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.5 t80 -60.65 -47.95 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.15 -49.49 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.407 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.44 -38.99 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.601 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -86.13 -12.29 50.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.14 24.55 24.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.966 170.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.522 HG21 ' HA3' ' A' ' 9' ' ' GLY . 2.9 p -109.97 136.78 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.106 0.479 . . . . 0.0 111.165 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.26 141.03 34.0 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.28 -163.94 17.19 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 119.566 -1.302 . . . . 0.0 112.859 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.52 98.92 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.376 -0.412 . . . . 0.0 109.961 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -68.7 100.04 1.09 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.216 0.531 . . . . 0.0 110.498 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.92 112.68 21.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.58 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 29.6 t80 -100.44 128.31 46.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -97.57 115.76 28.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.4 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 3.5 p-10 -77.92 -14.1 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.47 -174.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.32 -58.05 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -93.07 0.04 57.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.575 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 61.26 45.23 9.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 4' ' ' LYS . 28.7 p -119.55 125.99 50.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.853 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 64.6 m-85 -90.63 145.25 24.99 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -136.06 122.66 20.91 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.85 104.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 172.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -89.06 100.27 13.08 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.784 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 45.6 tt0 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.148 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.447 -0.609 0 CA-C-O 120.835 0.35 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 11.8 m -105.17 146.67 28.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.535 -176.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.786 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -113.25 146.9 38.57 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -112.8 117.03 31.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.119 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -103.0 129.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 173.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -130.84 170.37 14.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.188 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.1 m120 65.67 24.49 11.59 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -172.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD11 HG21 ' A' ' 82' ' ' THR . 35.5 tp -68.74 141.78 55.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.363 -172.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 36.2 p -67.7 142.37 56.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -77.33 14.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.401 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -127.83 12.33 6.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.966 178.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 78' ' ' LEU . 85.0 m -70.03 128.43 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.29 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.739 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.6 m -99.85 152.32 37.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.681 ' HA ' HD12 ' A' ' 102' ' ' ILE . 52.8 Cg_exo -52.06 -45.39 39.22 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.092 2.528 . . . . 0.0 113.158 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.453 . . . . 0.0 110.02 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.739 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -52.47 -54.52 31.3 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.07 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 25.7 mt -75.36 -43.37 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.34 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -55.51 -42.96 75.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HE ' ' HB3' ' A' ' 89' ' ' ARG . 8.3 ttp180 -51.29 -46.28 62.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.738 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 86' ' ' THR . 3.6 t -74.71 -49.89 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.33 . . . . 0.0 111.166 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' HD2' ' O ' ' A' ' 87' ' ' LEU . 68.5 m-85 -63.75 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 -68.62 -7.33 32.02 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 111.595 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -75.99 -43.28 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.257 0.551 . . . . 0.0 109.786 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -83.24 -36.53 24.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.074 -173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -149.86 175.67 28.88 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.965 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -85.38 100.81 12.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.092 0.472 . . . . 0.0 110.81 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.7 p -96.44 134.33 34.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.263 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.4 -36.32 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.207 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -146.03 156.66 43.63 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.611 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 3.4 m -123.13 -55.91 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.188 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 100' ' ' VAL . 80.9 t80 67.93 89.92 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.456 0.646 . . . . 0.0 110.808 -175.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.708 HG12 ' HB1' ' A' ' 115' ' ' ALA . 43.3 mt . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.608 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 CA--C 1.518 -0.274 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.708 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -145.0 154.53 42.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.924 0.392 . . . . 0.0 111.157 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.42 164.6 13.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.472 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -144.99 135.5 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 171.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -118.62 113.77 21.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 110.975 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.501 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 72.0 m-85 -99.31 168.21 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -67.28 -44.09 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 110.725 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.673 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.9 t70 -148.28 170.64 17.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.389 -177.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.584 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 61.7 tttp -59.2 -28.05 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.673 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 13.5 ptm180 -50.75 -46.79 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.679 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.668 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.5 m-20 -79.39 -26.76 41.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -80.36 -35.61 35.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.007 -174.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.604 ' O ' ' HE3' ' A' ' 129' ' ' MET . 34.4 mm-40 -63.37 -48.19 78.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.4 -37.28 80.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.4 -53.13 13.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.869 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.604 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -64.48 -33.39 75.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.878 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.68 -42.79 73.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.77 -53.09 11.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.472 -173.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.624 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 62.3 mtp -89.46 -0.81 57.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.413 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 32.2 t70 -75.12 88.37 2.44 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 169.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.469 ' C ' ' HB3' ' A' ' 141' ' ' GLU . . . 111.63 38.05 1.5 Allowed Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.837 -168.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -125.41 114.32 18.69 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 122.549 0.339 . . . . 0.0 110.963 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.735 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 0.1 OUTLIER -82.54 124.68 39.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.089 0.471 . . . . 0.0 111.933 -177.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.93 -13.5 21.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.416 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.53 ' N ' HD13 ' A' ' 137' ' ' LEU . 23.2 t70 -160.92 -75.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.327 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -133.11 14.17 4.9 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.888 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.735 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 16.2 tpp180 -145.4 128.52 16.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.819 -0.191 . . . . 0.0 110.545 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.575 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 2.5 mp0 -71.81 104.73 3.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 167.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.2 mm? -53.41 143.95 17.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.137 0.494 . . . . 0.0 111.96 -174.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 1.9 mmp_? -96.71 100.28 11.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 170.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.413 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 47.7 t -103.14 108.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.49 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -113.14 147.91 36.41 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.139 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 5.2 tpt -63.75 117.73 7.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.381 . . . . 0.0 111.428 -173.796 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.561 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 46.8 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.649 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 28.4 tt0 -76.57 110.47 11.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -96.82 138.45 34.35 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.656 ' HB3' HG22 ' A' ' 51' ' ' THR . 24.4 ttmt -107.39 141.34 38.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.06 0.457 . . . . 0.0 111.707 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 30' ' ' PHE . 53.5 tp -108.01 124.4 50.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.889 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.6 mm -100.85 106.7 19.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 12' ' ' LEU . 5.0 mp -87.76 119.56 28.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.119 0.485 . . . . 0.0 110.157 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -116.41 47.89 1.35 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.757 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -77.66 179.72 50.64 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.615 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 42.0 mmtm -68.24 -46.93 69.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 109.978 176.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 m -105.92 -44.94 4.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.857 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -95.04 106.66 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.624 -174.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 53.0 mtpt -128.26 97.47 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.868 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.57 -176.02 22.39 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.2 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -109.9 153.27 24.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 t -163.52 158.35 20.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HB2' ' A' ' 4' ' ' LYS . 73.4 p -140.07 159.22 42.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.334 0.587 . . . . 0.0 111.451 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.498 HG22 ' CE1' ' A' ' 30' ' ' PHE . 13.7 t -146.83 129.07 15.71 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.817 169.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 44.6 mt-10 -77.23 96.02 4.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.559 0.695 . . . . 0.0 109.458 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.598 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -107.64 146.02 32.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.556 -173.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 m -75.91 -31.14 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 9.0 m-20 -129.21 159.88 34.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.822 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.12 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.032 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.42 -41.52 94.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.644 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 8.7 m -57.77 -44.41 86.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.373 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.77 63.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.735 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.83 -35.7 75.26 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.956 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 32.3 mmmt -62.31 -39.17 92.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 25' ' ' THR . 28.2 t -73.67 -38.0 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.334 0.588 . . . . 0.0 110.379 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE1' HG22 ' A' ' 18' ' ' THR . 20.3 m-30 -67.51 -30.86 70.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.124 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.3 mttt -72.83 -34.2 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.886 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -61.39 -46.88 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.88 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HD2' HD21 ' A' ' 7' ' ' LEU . 8.7 t80 -63.13 -46.92 85.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.221 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.98 75.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.543 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -64.1 -35.74 81.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.48 -32.65 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.468 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.549 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.8 m-80 -88.74 -12.28 42.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.756 0.313 . . . . 0.0 111.261 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 31.88 12.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.33 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.494 HG11 HD23 ' A' ' 7' ' ' LEU . 3.7 p -119.44 128.39 75.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.169 0.509 . . . . 0.0 110.957 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -128.61 84.94 2.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.71 -179.41 22.87 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.272 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.69 113.12 8.39 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -71.56 117.15 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 p -127.54 114.12 17.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.306 173.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -99.31 125.17 44.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.1 0.476 . . . . 0.0 110.32 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.56 115.41 30.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.41 -37.41 71.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.07 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 111.533 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -104.22 -5.28 22.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.647 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.0 mmtm 58.47 39.21 25.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.367 0.603 . . . . 0.0 110.503 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.656 HG22 ' HB3' ' A' ' 4' ' ' LYS . 13.4 p -113.95 136.08 53.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.861 -175.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.2 m-85 -102.62 128.7 49.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.405 173.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 m -116.87 124.53 49.7 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.512 0.196 . . . . 0.0 110.64 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.43 104.57 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 172.324 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 m -86.49 96.85 10.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.892 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 9.4 tp10 . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 118' ' ' ARG . 22.8 m -95.39 133.69 39.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.41 0.624 . . . . 0.0 112.526 -172.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -106.08 152.99 22.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.596 169.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.628 ' HD3' ' HB2' ' A' ' 114' ' ' PHE . 1.2 tmmt? -125.67 111.35 14.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 144' ' ' VAL . 1.5 m -86.26 138.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 11.6 t70 -130.51 173.15 11.13 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 58.85 25.76 14.0 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.726 0.774 . . . . 0.0 109.565 -173.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD11 HG21 ' A' ' 82' ' ' THR . 44.4 tp -80.95 148.95 29.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.198 -173.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 138' ' ' ASP . 3.8 p -73.59 156.39 38.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.167 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -78.58 -22.59 46.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.316 0.579 . . . . 0.0 110.071 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HD3' ' OD1' ' A' ' 138' ' ' ASP . 13.5 ptm180 -83.42 6.13 21.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.78 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 102' ' ' ILE . 14.8 m -70.28 119.95 15.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.745 0.307 . . . . 0.0 111.401 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.813 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.4 m -94.0 152.52 40.53 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.09 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.512 ' HA ' HD12 ' A' ' 102' ' ' ILE . 9.7 Cg_endo -53.79 -45.91 37.58 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.004 2.469 . . . . 0.0 113.061 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.61 -25.46 63.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.813 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.9 m -54.66 -52.13 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.215 177.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HE1' ' A' ' 91' ' ' PHE . 15.3 mt -71.36 -43.68 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.075 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -55.92 -44.93 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.517 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -53.81 -42.86 68.86 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.564 0.54 . . . . 0.0 111.571 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 86' ' ' THR . 4.6 t -74.21 -53.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.008 0.433 . . . . 0.0 110.987 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.557 ' HE1' HD22 ' A' ' 87' ' ' LEU . 50.6 m-85 -64.96 -31.98 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -7.51 40.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.696 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -75.45 -34.39 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.22 0.534 . . . . 0.0 109.844 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.42 ' HD2' ' HA ' ' A' ' 91' ' ' PHE . 51.3 m-85 -83.05 -36.55 24.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.744 -174.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -166.49 -170.69 31.71 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.218 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -82.9 98.89 9.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.738 0.304 . . . . 0.0 111.173 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.9 p -94.17 127.04 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.21 -22.07 7.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.326 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.3 119.25 7.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.135 0.467 . . . . 0.0 111.54 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.465 HG12 HG13 ' A' ' 117' ' ' VAL . 29.7 m -115.65 146.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.065 0.46 . . . . 0.0 110.529 174.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.517 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 90.7 t80 -135.54 112.17 10.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.584 HD13 HG22 ' A' ' 82' ' ' THR . 47.0 mt . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.97 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.628 ' HB2' ' HD3' ' A' ' 74' ' ' LYS . 52.6 p90 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.456 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -145.75 163.5 34.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.517 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 61.5 m-85 -115.13 140.97 48.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.024 0.44 . . . . 0.0 110.725 -178.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.465 HG13 HG12 ' A' ' 100' ' ' VAL . 27.3 t -135.47 120.88 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.22 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.411 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 86.2 mtt180 -110.64 121.08 44.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.628 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.8 m-85 -101.71 168.22 9.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.502 176.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -62.53 -53.47 54.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.79 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 32.3 t70 -132.13 168.72 17.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.957 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.588 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 55.2 tttp -60.48 -27.71 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.104 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.79 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.0 ptt180 -55.39 -41.7 73.01 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.011 0.434 . . . . 0.0 110.648 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.635 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 12.6 m-20 -78.86 -28.21 44.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.353 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.95 -38.65 36.59 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.32 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.588 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 43.7 mt-10 -64.58 -42.73 95.43 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 110.226 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.45 -42.15 77.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.89 -54.17 5.82 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.238 -173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -55.87 -38.58 70.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -174.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.483 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 15.8 t70 -72.05 -49.1 39.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.033 0.444 . . . . 0.0 110.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.4 62.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.291 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.846 ' HB3' HG21 ' A' ' 144' ' ' VAL . 86.4 mmm -87.27 -7.45 57.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.355 -176.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 13.46 0.71 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 122.781 1.276 . . . . 0.0 110.093 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.625 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . -161.22 34.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.655 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.594 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.62 130.37 52.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.668 0.27 . . . . 0.0 111.21 -176.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.842 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 10.0 t -96.88 102.87 14.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.659 0.266 . . . . 0.0 110.334 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.672 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.8 OUTLIER -89.58 -10.45 46.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.18 0.514 . . . . 0.0 110.348 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.453 ' HB3' HG21 ' A' ' 79' ' ' THR . 19.2 t70 -155.61 -75.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.765 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.53 15.73 2.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.592 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.842 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -154.89 176.75 12.1 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.625 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 33.4 mt-10 -101.08 117.41 34.97 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.148 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -58.78 138.34 57.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.615 178.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.651 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 20.9 tpp180 -92.92 80.65 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.846 HG21 ' HB3' ' A' ' 132' ' ' MET . 59.0 t -83.15 109.71 17.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.41 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -108.15 153.99 22.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.801 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 117.69 9.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -172.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 50.9 tpp . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.86 0.362 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.22 96.9 8.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.128 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 44.0 m-85 -82.27 141.55 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.654 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -106.19 117.84 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.817 -177.082 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 30' ' ' PHE . 47.6 tp -92.47 122.84 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -102.26 103.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.447 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 13.2 mt -83.09 124.88 30.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.216 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -136.88 115.12 11.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.914 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.04 -171.51 41.86 Favored Glycine 0 N--CA 1.436 -1.35 0 C-N-CA 118.926 -1.607 . . . . 0.0 113.529 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' HG3' ' OE1' ' A' ' 56' ' ' GLU . 41.8 mtpt -49.08 101.69 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.329 0.652 . . . . 0.0 112.058 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m 64.32 9.72 5.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.31 92.88 3.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.795 -0.566 . . . . 0.0 110.623 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.671 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 57.2 mttm -141.88 89.99 2.23 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.568 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.738 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.47 179.49 26.21 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.83 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -128.56 132.38 48.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 t -144.31 170.84 15.22 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.411 HG23 ' HE3' ' A' ' 4' ' ' LYS . 6.0 p -132.36 171.33 13.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.932 0.396 . . . . 0.0 111.025 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -153.41 147.07 25.12 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 172.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -83.03 96.8 8.46 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.37 140.3 52.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.103 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.3 -22.17 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.351 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -144.45 156.26 44.11 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.874 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.76 74.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.511 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -69.55 -46.12 67.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.312 0.577 . . . . 0.0 110.185 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.82 88.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.753 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -62.28 -31.88 72.52 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.731 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -65.41 -36.71 84.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.089 0.471 . . . . 0.0 110.99 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 t -76.22 -41.99 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.18 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.56 ' HB3' HD13 ' A' ' 5' ' ' LEU . 23.3 m-30 -61.89 -36.97 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.21 -36.64 83.56 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.47 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -63.05 -47.71 81.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.97 -48.81 80.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -50.35 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.575 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.12 -39.84 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.295 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.73 -36.82 81.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.13 -34.44 59.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.0 8.67 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.163 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -102.98 94.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.836 0.826 . . . . 0.0 110.697 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -101.21 120.03 39.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.489 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.1 -173.11 18.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.209 -174.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -83.18 125.44 31.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -92.58 112.79 24.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.104 0.478 . . . . 0.0 111.731 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.528 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 25.1 p -106.29 144.15 33.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.513 172.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 51' ' ' THR . 60.1 t80 -130.49 131.92 45.38 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.816 0.341 . . . . 0.0 110.679 -177.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.11 115.35 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.735 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -66.38 -30.41 70.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.085 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.73 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.759 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 ' OG1' ' A' ' 51' ' ' THR . 1.6 t -113.5 1.87 15.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.388 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 59.1 40.42 21.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.318 0.58 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 4' ' ' LYS . 18.2 p -106.24 139.74 40.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.125 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HD2' ' HE2' ' A' ' 30' ' ' PHE . 48.0 m-85 -113.28 112.55 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.395 171.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.528 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 13.4 m -98.81 118.92 36.65 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.5 p -97.25 104.77 16.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 m -95.41 96.85 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.045 -170.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE1' ' HG3' ' A' ' 10' ' ' LYS . 4.1 tm-20 . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 37.6 m -81.3 129.36 34.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -174.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.851 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.9 mm? -90.25 156.65 18.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.047 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 1.003 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 9.6 tmtt? -125.62 106.52 9.81 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.5 m -94.21 137.09 23.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 5.7 t70 -131.86 -179.12 5.2 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.27 -175.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.518 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER 70.04 -66.75 0.26 Allowed 'General case' 0 CA--C 1.52 -0.181 0 O-C-N 124.167 0.917 . . . . 0.0 108.615 -170.074 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' OG1' ' A' ' 82' ' ' THR . 11.7 tp 58.11 -174.95 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.938 0.774 . . . . 0.0 111.545 170.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.582 HG21 ' HB3' ' A' ' 138' ' ' ASP . 21.1 p -108.59 -8.7 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.843 -0.536 . . . . 0.0 110.773 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 69.9 -30.62 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.553 0.741 . . . . 0.0 111.049 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 79' ' ' THR . 6.3 ptm180 -84.58 6.01 25.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 173.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.566 ' OG1' ' HG ' ' A' ' 78' ' ' LEU . 5.3 m -62.38 151.0 38.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.431 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.583 ' O ' HG22 ' A' ' 86' ' ' THR . 23.2 t -130.98 143.26 48.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.71 ' HA ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -43.63 -51.59 6.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.943 3.095 . . . . 0.0 114.302 -175.596 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.59 -29.96 71.14 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.1 t -62.54 -39.09 92.49 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.668 0.271 . . . . 0.0 110.41 -176.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.588 HD22 ' HE1' ' A' ' 91' ' ' PHE . 56.9 mt -79.57 -36.55 38.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.67 0.271 . . . . 0.0 110.702 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.641 ' HG2' HG13 ' A' ' 100' ' ' VAL . 20.5 mtm180 -63.28 -29.84 71.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.387 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -71.61 -46.72 58.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 86' ' ' THR . 7.6 t -73.23 -52.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.84 0.352 . . . . 0.0 111.619 -175.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.588 ' HE1' HD22 ' A' ' 87' ' ' LEU . 37.7 m-85 -65.71 -32.34 73.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -61.98 -21.01 64.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 111.406 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.31 -38.53 89.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.429 0.633 . . . . 0.0 110.033 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -83.63 -43.18 15.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.724 -175.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.8 169.56 32.42 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -75.79 98.54 4.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.27 0.535 . . . . 0.0 110.962 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.47 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 6.0 p -90.88 138.76 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.001 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.76 -46.0 3.27 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.868 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -158.5 174.17 15.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.641 HG13 ' HG2' ' A' ' 88' ' ' ARG . 15.5 m -125.79 -28.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 100' ' ' VAL . 86.4 t80 69.62 -74.78 0.08 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.568 0.347 . . . . 0.0 110.825 -177.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.764 HG12 ' HB1' ' A' ' 115' ' ' ALA . 38.7 mt . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.73 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 p90 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.764 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -143.29 167.11 22.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.327 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -126.79 161.93 27.04 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.313 176.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.851 HG22 ' HB2' ' A' ' 73' ' ' LEU . 12.7 m -141.1 115.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 170.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 15.8 mtm180 -90.81 106.84 18.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -172.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.702 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 4.9 m-85 -97.24 154.77 17.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -54.97 -58.5 7.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.383 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.684 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 24.0 t70 -136.93 166.67 23.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.468 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -57.5 -30.78 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.712 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.684 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.5 ptt180 -54.45 -41.62 69.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.203 0.525 . . . . 0.0 110.362 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.702 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.1 m-20 -79.04 -38.55 36.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.505 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -68.11 -35.79 78.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.319 -174.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.423 ' O ' ' HE3' ' A' ' 129' ' ' MET . 44.4 mt-10 -71.36 -32.55 68.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.62 -42.0 99.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.757 0.789 . . . . 0.0 109.042 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.04 -52.84 6.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.596 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.668 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -62.01 -35.97 80.15 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 -174.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.31 -42.23 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 110.161 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -53.5 9.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.507 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.577 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 78.7 mmm -76.87 -4.53 44.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.705 -166.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.516 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 25.6 t70 -72.85 81.49 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.704 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 127.82 11.28 3.28 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.772 -170.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.698 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.86 138.7 31.73 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.113 0.165 . . . . 0.0 111.054 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.685 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 9.7 t -102.32 110.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.859 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -90.11 -7.14 54.48 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.091 0.472 . . . . 0.0 110.971 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.582 ' HB3' HG21 ' A' ' 79' ' ' THR . 27.6 t70 -169.07 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.809 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -144.97 28.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.685 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -148.82 138.31 21.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.72 0.408 . . . . 0.0 110.253 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.704 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 43.9 mt-10 -83.83 112.1 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -58.57 137.29 57.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.516 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 22.5 mmt180 -90.8 82.0 5.73 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 172.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.48 HG22 HG12 ' A' ' 75' ' ' VAL . 38.5 t -87.92 114.52 26.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.712 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -126.57 148.99 49.68 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.1 ttm -70.6 117.34 12.0 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 1.003 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 110.6 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.404 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 24.9 tt0 53.76 93.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.294 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.54 ' O ' ' HA ' ' A' ' 17' ' ' THR . 3.8 m-85 -87.76 147.86 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.557 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.755 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 13.7 tppt? -107.94 127.55 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.899 0.381 . . . . 0.0 110.928 -178.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 30' ' ' PHE . 41.2 tp -97.52 125.27 42.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.946 173.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 15' ' ' GLU . 48.7 mm -106.41 103.2 15.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.5 mp -86.62 99.78 11.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.05 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.712 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.9 t-20 -99.24 48.95 0.95 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.568 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -92.3 -163.58 37.9 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.048 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -98.81 127.78 44.83 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m 71.89 -50.0 0.69 Allowed 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.572 0.545 . . . . 0.0 111.252 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 HD22 ' A' ' 7' ' ' LEU . 2.3 tm? -94.87 100.79 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 109.951 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 37.8 mtmm -126.92 107.34 10.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.436 174.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.501 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.64 -174.35 21.62 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.392 -0.909 . . . . 0.0 111.527 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.755 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -148.85 141.87 24.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 174.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -158.02 173.46 16.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.248 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 66.7 p -130.93 154.97 47.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.476 0.655 . . . . 0.0 112.418 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 30' ' ' PHE . 8.8 t -133.55 134.67 43.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.593 170.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.06 72.58 4.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.424 0.631 . . . . 0.0 109.55 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.42 141.39 30.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.902 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.09 -8.71 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 18.4 t70 -150.81 153.57 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.69 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -71.61 -24.42 61.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 32.3 m -71.78 -42.48 67.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 0.0 109.591 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.78 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.354 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 10.7 pt-20 -59.75 -36.33 76.42 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.758 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.85 -33.94 77.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.414 . . . . 0.0 111.169 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.34 -40.95 35.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.272 0.558 . . . . 0.0 110.232 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.631 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.2 m-30 -68.07 -35.83 78.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.192 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -76.19 -21.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.088 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -73.84 -46.24 46.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -60.34 -47.27 86.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.412 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.07 86.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.54 -30.02 69.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 111.002 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -72.7 -45.9 56.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.425 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.57 -27.76 64.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.76 31.62 6.27 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.922 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.2 p -111.68 127.17 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.241 0.544 . . . . 0.0 110.994 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -124.37 114.02 18.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.621 176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -144.56 -176.96 19.03 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.849 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.01 120.9 15.6 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.536 0.334 . . . . 0.0 110.131 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -91.54 105.52 17.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.095 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.3 p -115.88 120.96 40.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.126 174.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -111.21 128.22 55.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.059 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -99.77 121.34 41.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.794 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.33 -24.83 60.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.819 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -49.06 29.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 p -91.46 -7.47 50.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.842 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm 61.7 40.31 13.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.1 0.476 . . . . 0.0 110.498 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.653 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.2 p -113.45 126.89 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.019 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -97.32 112.45 24.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 m -101.67 112.24 24.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.3 p -99.94 104.81 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.614 0.721 . . . . 0.0 109.393 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.712 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.2 m -102.49 111.07 23.21 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.526 -173.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.497 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 4.4 tm-20 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.946 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.497 HG21 ' HA ' ' A' ' 122' ' ' LYS . 1.1 m . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 121.399 0.619 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.5 m -105.89 149.14 26.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.159 -174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.913 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -115.62 145.66 42.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.218 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -113.59 113.47 25.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.424 HG22 ' HB3' ' A' ' 115' ' ' ALA . 2.0 m -96.78 134.02 36.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.25 175.65 8.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.79 24.85 14.74 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.856 0.836 . . . . 0.0 109.279 -172.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.515 HD11 HG21 ' A' ' 82' ' ' THR . 36.9 tp -84.83 158.72 20.58 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.563 -174.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.443 HG23 ' HD3' ' A' ' 140' ' ' ARG . 25.5 p -101.06 142.81 31.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.992 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -76.23 78.9 3.02 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.751 0.786 . . . . 0.0 109.801 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -174.94 -25.64 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.393 -1.276 . . . . 0.0 107.794 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 78' ' ' LEU . 67.9 m -62.36 109.42 1.34 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.326 -1.307 . . . . 0.0 110.443 174.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.808 ' O ' ' HB ' ' A' ' 86' ' ' THR . 43.6 m -90.62 158.67 42.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.366 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.659 ' HA ' HD12 ' A' ' 102' ' ' ILE . 66.0 Cg_exo -49.52 -46.98 24.39 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.582 2.188 . . . . 0.0 113.362 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.85 -25.64 67.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.808 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.5 m -59.84 -56.36 22.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.388 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.602 HD22 ' HE2' ' A' ' 91' ' ' PHE . 20.8 mt -69.69 -39.26 77.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.06 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -51.53 -50.54 59.81 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.5 ttp85 -51.62 -47.88 63.49 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.859 0.724 . . . . 0.0 112.119 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 86' ' ' THR . 2.5 t -74.81 -45.0 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.733 0.301 . . . . 0.0 111.626 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.602 ' HE2' HD22 ' A' ' 87' ' ' LEU . 51.9 m-85 -71.67 -35.97 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -16.69 61.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.813 0.34 . . . . 0.0 111.772 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -66.28 -39.96 89.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 110.061 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -83.31 -44.52 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.248 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -148.42 -178.84 23.87 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.119 -1.039 . . . . 0.0 112.953 -177.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -83.72 94.66 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.401 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 7.4 p -99.78 132.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.3 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.82 -16.94 7.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.699 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD2' ' HD3' ' A' ' 118' ' ' ARG . 24.5 t70 -153.37 149.24 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 15.7 m -131.35 -51.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.762 0.315 . . . . 0.0 110.749 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.43 ' N ' HG23 ' A' ' 100' ' ' VAL . 30.5 t80 59.85 83.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 84' ' ' PRO . 73.8 mt . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.6 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.2 162.09 41.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.349 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 91.6 m-85 -115.48 158.7 22.18 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.73 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -142.86 132.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.432 ' HD3' ' OD2' ' A' ' 99' ' ' ASP . 5.5 mpt_? -113.94 111.41 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.106 0.479 . . . . 0.0 111.018 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.719 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.2 m-85 -94.28 168.56 10.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.281 175.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -66.88 -54.44 22.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -134.87 179.47 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.948 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.586 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 53.7 tttp -64.02 -33.09 74.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.169 -177.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.404 ' HE ' ' CG ' ' A' ' 124' ' ' ASP . 0.9 OUTLIER -52.2 -42.12 63.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.719 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 17.1 m-20 -79.06 -32.73 44.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.353 0.597 . . . . 0.0 110.259 -176.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.429 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -76.55 -38.92 54.25 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.303 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.586 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 32.2 mt-10 -68.92 -42.7 76.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.224 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.54 -36.34 69.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.87 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.6 -53.73 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.244 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.55 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.21 -31.29 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.568 0.223 . . . . 0.0 111.217 -174.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.89 -39.03 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.52 -48.4 22.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.57 -177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.751 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 34.8 ttm -89.87 -9.45 48.96 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.63 85.99 0.9 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 118.0 23.22 3.66 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.515 -169.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.751 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -105.26 143.11 33.89 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 122.779 -0.248 . . . . 0.0 111.026 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.3 t -105.7 102.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.648 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.01 -5.21 53.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.384 0.612 . . . . 0.0 110.223 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.447 ' N ' HD13 ' A' ' 137' ' ' LEU . 21.4 t70 -157.03 -66.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.801 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -158.18 25.83 0.41 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.752 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.851 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -161.86 179.02 8.39 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.743 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 29.5 mt-10 -103.86 111.96 24.72 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.994 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.9 mm? -57.99 138.31 56.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.894 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 143' ' ' ARG . 23.9 mmt180 -98.75 85.49 3.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.171 0.51 . . . . 0.0 109.953 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 132' ' ' MET . 19.1 t -87.94 108.47 18.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.032 -176.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -113.78 139.88 48.75 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.859 -176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.554 ' HA ' HD13 ' A' ' 73' ' ' LEU . 36.7 ttm -72.33 117.61 14.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.836 -170.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -86.43 112.06 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' THR . 9.6 m-85 -101.35 130.36 47.52 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.668 ' HB3' HG22 ' A' ' 51' ' ' THR . 32.4 ttmt -104.67 130.92 52.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.018 0.437 . . . . 0.0 111.344 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 30' ' ' PHE . 54.0 tp -97.76 123.45 41.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -94.94 101.49 12.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.91 HD22 HD23 ' A' ' 12' ' ' LEU . 4.7 mp -81.64 106.61 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -104.79 37.55 2.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.39 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -90.66 172.7 37.67 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.344 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -33.44 37.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.559 175.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -79.91 -30.13 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.055 0.455 . . . . 0.0 111.02 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.91 HD23 HD22 ' A' ' 7' ' ' LEU . 17.0 tp -147.77 124.42 11.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.72 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.2 tttp -126.15 83.9 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.4 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.04 -178.52 24.14 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.016 -1.087 . . . . 0.0 112.475 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.8 mp0 -116.89 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -147.95 156.89 43.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 22.1 p -134.11 163.16 30.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 0.0 112.103 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.4 t -151.42 152.96 33.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.562 174.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.22 94.86 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.0 109.586 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.7 148.53 26.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.059 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.64 -13.35 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.68 155.06 35.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.888 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.27 87.58 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.292 0.37 . . . . 0.0 111.457 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.2 -37.09 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.065 0.459 . . . . 0.0 110.249 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -66.24 -35.32 80.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.188 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -50.78 61.74 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.985 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.3 pt-20 -61.2 -36.7 80.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -51.4 -48.85 62.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.271 0.557 . . . . 0.0 111.189 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.35 -35.18 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.968 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.2 m-30 -65.88 -31.65 72.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.119 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 25.7 mtpp -71.47 -29.21 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.357 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -66.32 -48.79 69.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.253 0.549 . . . . 0.0 109.667 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.481 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.0 t80 -62.05 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.486 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -66.27 -41.47 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -67.52 -35.48 79.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.837 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.34 -35.95 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.25 0.547 . . . . 0.0 110.23 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' CG ' HD22 ' A' ' 12' ' ' LEU . 47.1 m-80 -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.98 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.84 36.37 3.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.324 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.483 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.2 p -121.77 94.65 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-O 121.879 0.847 . . . . 0.0 111.624 174.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -103.33 85.03 2.41 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.71 -169.71 31.27 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.06 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -73.48 111.64 8.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -74.62 107.36 6.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.092 0.472 . . . . 0.0 112.002 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.0 p -115.91 143.3 45.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.726 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -126.72 136.05 51.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 0.0 110.988 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -111.17 125.59 53.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.252 175.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -86.77 -23.17 25.52 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.598 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.86 77.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.1 p -100.85 -2.8 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.319 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 59.93 39.92 19.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.406 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 4' ' ' LYS . 35.7 p -110.44 142.35 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.226 0.536 . . . . 0.0 111.752 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -105.89 145.17 31.61 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 m -132.74 120.05 21.14 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.22 103.5 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 121.22 0.534 . . . . 0.0 109.708 173.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -91.36 96.32 10.46 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.623 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 43.1 tt0 . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.685 HG21 ' HA ' ' A' ' 122' ' ' LYS . 2.5 p . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.135 0.493 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -105.34 131.62 52.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.636 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.858 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -109.08 145.57 35.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.27 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.752 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 18.5 tptp -111.63 113.36 25.7 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.024 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.93 125.11 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -121.39 176.02 5.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.449 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 44.3 m-80 62.6 19.87 11.61 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 124.019 0.825 . . . . 0.0 109.052 -172.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 82' ' ' THR . 26.5 tp -62.86 133.09 54.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.654 -174.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 4.2 p -64.47 147.52 52.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.996 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.07 -33.73 76.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.567 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -93.0 29.21 1.89 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.865 0.364 . . . . 0.0 111.863 -175.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.627 HG21 HD11 ' A' ' 78' ' ' LEU . 17.6 m -83.35 118.02 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.424 176.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.617 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.4 p -93.89 153.67 40.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 122.326 -0.234 . . . . 0.0 110.469 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -51.48 -41.57 59.54 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.002 2.468 . . . . 0.0 112.822 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.32 -36.22 79.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.116 0.484 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -58.35 -57.95 10.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.3 -177.116 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.2 mt -64.3 -42.2 96.48 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.172 -175.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -55.9 -51.03 69.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -61.91 -37.64 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.61 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 86' ' ' THR . 13.4 t -73.4 -50.08 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.849 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.609 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 25.3 m-85 -65.5 -34.89 79.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.104 -175.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.5 pt-20 -70.57 1.59 5.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -72.01 -45.06 62.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.016 0.436 . . . . 0.0 110.144 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 70.7 m-85 -84.79 -41.12 16.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.419 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -137.79 -174.17 13.26 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -102.25 94.83 5.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.204 1.002 . . . . 0.0 110.865 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.0 p -88.82 134.57 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.979 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.49 -35.29 1.61 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.449 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.94 110.13 12.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.201 0.501 . . . . 0.0 111.152 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.3 150.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.702 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.05 103.45 4.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.329 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.747 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 36.3 p90 . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 167.24 30.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.857 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.9 m-85 -124.32 146.06 49.04 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.555 178.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.858 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -133.43 138.71 50.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.389 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 97' ' ' VAL . 26.9 ttm180 -117.12 115.44 25.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.0 112.322 -175.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.719 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 56.8 m-85 -96.53 170.76 8.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.627 175.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -70.64 -73.1 0.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.646 0.26 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.903 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 50.6 m-20 -109.21 179.75 4.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.9 0.381 . . . . 0.0 110.347 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.685 ' HA ' HG21 ' A' ' 71' ' ' THR . 46.0 tttm -67.81 -27.01 66.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.903 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 16.2 ptt180 -54.11 -42.93 69.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.904 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.719 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 14.3 m-20 -74.52 -36.41 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.565 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.56 -38.3 59.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.703 -173.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.562 ' O ' ' HE3' ' A' ' 129' ' ' MET . 38.6 mt-10 -62.98 -48.39 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.051 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 58.5 m-20 -59.83 -31.21 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.538 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.38 -54.44 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.647 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.81 -30.9 71.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 -173.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 129' ' ' MET . 30.5 t70 -74.23 -45.2 49.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.171 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.59 -42.86 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.609 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.3 tpp -76.59 -17.58 59.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.629 -172.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.21 91.57 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.598 ' CA ' ' HB3' ' A' ' 141' ' ' GLU . . . 117.99 12.23 7.86 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.305 -170.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.72 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -100.68 126.36 47.2 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 122.996 0.519 . . . . 0.0 111.315 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.54 HG22 ' HG3' ' A' ' 141' ' ' GLU . 17.9 t -92.65 103.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.825 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -81.82 -12.48 58.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.396 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.502 ' N ' HD13 ' A' ' 137' ' ' LEU . 15.9 t70 -162.98 -72.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.324 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -136.38 10.99 4.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.225 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 3.1 tpm_? -146.31 135.89 23.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.886 -0.185 . . . . 0.0 111.077 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.72 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.4 mp0 -68.86 113.91 6.72 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 165.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -55.81 144.99 25.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.222 0.534 . . . . 0.0 111.493 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -100.51 91.24 4.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 132' ' ' MET . 21.4 t -104.23 117.44 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -124.85 162.68 23.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.403 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.39 116.8 9.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 110.254 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.752 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.535 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -87.18 102.62 14.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.97 0.414 . . . . 0.0 111.327 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -103.21 140.94 36.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.99 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HB3' HG22 ' A' ' 51' ' ' THR . 26.8 ttmt -118.17 138.08 52.55 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 111.707 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' ' 30' ' ' PHE . 49.7 tp -99.44 119.91 38.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.958 173.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.644 HD13 ' HB3' ' A' ' 15' ' ' GLU . 46.4 mm -98.58 106.89 19.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.819 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.54 100.49 13.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.206 0.527 . . . . 0.0 110.374 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -98.93 51.51 0.97 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -80.89 177.04 54.53 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.241 -171.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -59.53 -41.8 90.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 m -124.89 -39.85 2.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.791 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.819 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -83.46 105.84 14.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.66 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.9 ttmm -120.89 97.12 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.755 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.62 -174.52 21.75 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.764 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.644 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -144.33 135.93 25.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.153 0.501 . . . . 0.0 111.032 174.405 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -138.63 156.13 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.8 p -126.81 152.77 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.098 0.475 . . . . 0.0 111.302 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.434 HG22 ' CE1' ' A' ' 30' ' ' PHE . 11.5 t -140.44 145.85 37.51 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 172.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -88.62 92.16 9.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.386 0.612 . . . . 0.0 109.695 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -108.57 153.38 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.663 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -90.88 -22.63 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.9 t70 -136.01 151.1 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.39 94.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.439 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.78 -25.5 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.22 0.533 . . . . 0.0 110.278 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 28.3 m -73.81 -43.74 57.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.053 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -63.24 -47.09 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.672 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.8 pt-20 -61.51 -34.23 75.15 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.314 -175.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HD2' ' HD2' ' A' ' 31' ' ' LYS . 26.3 mmmt -63.08 -37.87 88.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.155 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.6 -37.64 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.381 0.61 . . . . 0.0 109.94 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.3 m-30 -67.42 -30.7 70.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.045 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.34 -32.91 73.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.62 -30.08 70.28 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.646 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.442 ' HD2' HD21 ' A' ' 7' ' ' LEU . 30.1 t80 -80.88 -43.13 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 109.956 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -64.45 -49.6 70.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.14 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.06 -27.47 68.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.75 -39.94 80.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.563 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 39.4 m-80 -90.25 -14.96 32.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.485 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.23 29.11 11.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.162 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.447 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.1 p -117.28 122.89 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.192 0.52 . . . . 0.0 111.609 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.96 102.34 6.47 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.59 -170.17 13.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.203 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -68.93 105.8 2.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 69.3 m95 -68.3 107.26 2.76 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.623 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 110.57 16.04 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.322 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 52.9 t80 -101.88 128.11 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 111.45 -176.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.67 116.04 30.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.288 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.92 -39.82 95.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.925 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.17 -47.8 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.173 -174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 p -93.19 -6.09 48.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 62.92 37.46 12.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.076 0.465 . . . . 0.0 110.356 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 4' ' ' LYS . 36.0 p -110.01 130.53 55.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.894 -175.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' LEU . 70.4 m-85 -102.11 112.3 24.91 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 172.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.7 m -103.94 127.7 51.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.456 0.17 . . . . 0.0 110.557 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -98.08 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.414 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 m -87.69 105.15 17.17 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.871 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.582 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.163 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 120.68 0.276 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 m -107.92 133.67 51.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.014 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.981 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -100.92 155.78 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.808 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 23.0 tptp -121.36 105.46 10.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -102.56 127.53 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' OD1' ' HB3' ' A' ' 114' ' ' PHE . 11.5 m-20 -124.26 178.89 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.682 0.277 . . . . 0.0 111.177 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 61.68 30.04 18.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.908 -173.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 82' ' ' THR . 27.3 tp -73.1 143.92 47.2 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.207 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.411 ' HB ' ' HD3' ' A' ' 81' ' ' ARG . 24.0 p -83.79 152.46 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.725 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -82.34 51.36 1.8 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.258 0.552 . . . . 0.0 110.983 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' HD3' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -157.82 11.77 0.2 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.938 175.041 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.583 HG21 HD11 ' A' ' 78' ' ' LEU . 20.4 m -91.16 108.18 19.7 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.729 ' O ' ' HB ' ' A' ' 86' ' ' THR . 56.9 m -90.78 157.57 43.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.58 ' HA ' HD12 ' A' ' 102' ' ' ILE . 4.3 Cg_endo -49.76 -44.28 36.89 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.606 2.204 . . . . 0.0 112.76 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.81 -33.23 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.824 0.345 . . . . 0.0 110.308 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.7 m -54.04 -58.23 8.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.62 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.561 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.8 mt -70.39 -37.67 74.55 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.758 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -54.86 -44.45 74.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm-85 -69.52 -39.59 77.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.659 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 86' ' ' THR . 3.8 t -74.57 -43.07 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.125 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' HG11 ' A' ' 117' ' ' VAL . 30.8 m-85 -69.55 -36.9 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.667 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -61.42 -19.06 61.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.595 -179.517 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.14 -39.14 89.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 109.894 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.64 -49.02 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.003 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.667 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -141.68 167.61 25.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -82.2 101.15 10.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.531 0.681 . . . . 0.0 110.265 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.407 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 3.0 p -87.58 136.8 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.783 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.09 -51.77 1.86 Allowed Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.217 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.5 161.21 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.42 160.04 37.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.147 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.449 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 54.5 t80 -139.45 94.88 2.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.347 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.616 HG12 ' HB1' ' A' ' 115' ' ' ALA . 48.1 mt . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.404 ' HB3' ' OD1' ' A' ' 76' ' ' ASP . 29.5 p90 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.616 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -146.5 153.71 40.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 89.8 m-85 -113.66 147.0 38.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.895 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.981 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.8 m -132.02 136.1 57.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -111.88 111.48 22.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.74 0.305 . . . . 0.0 111.47 -171.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.598 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 66.3 m-85 -98.33 169.73 9.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.498 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -73.65 -51.3 17.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.833 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 8.7 m-20 -127.63 176.05 7.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.035 0.445 . . . . 0.0 110.554 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -70.43 -20.51 62.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.705 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.833 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 31.0 ptt180 -55.66 -44.61 77.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.761 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 9.6 m-20 -77.24 -32.16 55.54 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.436 0.636 . . . . 0.0 109.531 -176.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -69.51 -42.98 74.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.043 -176.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.525 ' O ' ' HE3' ' A' ' 129' ' ' MET . 35.2 mt-10 -63.67 -48.7 76.14 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.934 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.89 -30.57 70.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.502 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.62 -54.44 5.65 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.61 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.46 -39.87 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.793 -175.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.04 -40.31 94.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.67 -50.36 17.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.035 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.861 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 35.5 ttm -80.25 -11.52 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -172.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.57 84.05 0.28 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.493 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 121.04 11.44 6.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.653 -171.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.861 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -101.44 131.62 47.46 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 122.478 0.311 . . . . 0.0 110.772 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.677 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 23.1 t -93.66 113.72 28.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.873 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.631 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.36 -17.46 34.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.239 178.423 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.564 ' N ' HD13 ' A' ' 137' ' ' LEU . 19.3 t70 -159.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.937 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.87 22.07 2.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -145.73 129.91 17.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.27 . . . . 0.0 111.129 -177.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -73.7 107.58 6.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.8 mm? -56.77 146.52 25.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.322 0.582 . . . . 0.0 111.617 -176.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -102.01 85.78 2.75 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.592 HG13 HG12 ' A' ' 75' ' ' VAL . 19.2 t -95.04 109.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.883 HE21 ' HA ' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -114.09 164.94 13.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.08 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 26.8 mtt -82.55 117.32 22.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.808 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.036 0.445 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -88.19 113.97 24.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.238 0.542 . . . . 0.0 111.414 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' THR . 24.0 m-85 -101.21 143.67 31.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.036 176.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.557 ' HB2' HG22 ' A' ' 17' ' ' THR . 4.5 ttmt -119.52 141.63 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.408 . . . . 0.0 111.57 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -105.05 128.92 53.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.283 174.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 15' ' ' GLU . 48.9 mm -109.47 109.73 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.715 HD22 HD21 ' A' ' 12' ' ' LEU . 5.5 mp -87.86 100.47 12.9 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.743 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -86.35 34.88 0.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.529 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.468 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -69.02 -29.9 72.27 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.072 -171.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm 69.52 -40.34 0.45 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.309 0.643 . . . . 0.0 111.37 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -61.07 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.715 HD21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -147.89 161.5 41.17 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.145 -1.389 . . . . 0.0 108.767 172.356 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -152.87 127.18 9.21 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.99 161.05 28.62 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.791 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 51.2 mt-10 -120.85 125.77 48.36 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -142.66 157.57 44.55 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 4' ' ' LYS . 50.8 p -133.24 153.21 51.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.338 0.589 . . . . 0.0 111.765 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -140.79 140.83 34.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.827 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.36 85.72 7.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.708 0.766 . . . . 0.0 109.402 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.57 148.59 23.63 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.134 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.99 -22.5 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.171 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -148.07 155.7 41.77 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.427 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.26 85.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.297 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.15 -26.52 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.621 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 m -72.61 -45.72 57.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.489 0.661 . . . . 0.0 109.885 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.88 86.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.581 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 pt-20 -60.76 -35.27 75.97 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.096 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.27 -36.44 77.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.169 0.509 . . . . 0.0 110.936 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.76 -40.99 40.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.199 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.4 m-30 -67.41 -32.65 73.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.6 mttt -68.23 -28.15 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.222 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.88 -46.54 74.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.414 ' HD2' HD21 ' A' ' 7' ' ' LEU . 17.8 t80 -62.74 -43.17 99.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.27 96.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.212 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -71.78 -33.18 68.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.795 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.7 -34.88 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.694 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 27.6 m-80 -90.23 -23.8 21.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.267 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.78 25.8 19.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.492 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.593 HG11 HD23 ' A' ' 7' ' ' LEU . 3.1 p -97.82 115.83 38.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.363 0.602 . . . . 0.0 110.93 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.33 79.33 1.24 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.82 -176.54 23.01 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.69 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -86.26 130.31 34.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.46 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 62.3 m95 -81.95 119.24 23.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.422 0.63 . . . . 0.0 111.694 -175.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 p -122.6 149.61 43.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.976 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -134.97 135.22 41.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.48 133.57 48.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.96 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.98 -8.36 57.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.65 -59.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.232 -0.293 . . . . 0.0 110.999 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.465 HG23 ' OG1' ' A' ' 51' ' ' THR . 3.8 t -85.1 -5.59 59.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.15 46.47 8.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.41 0.624 . . . . 0.0 109.95 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.3 p -113.25 144.79 42.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.633 -175.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.12 145.11 31.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.11 172.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 m -137.77 130.85 30.38 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.939 0.399 . . . . 0.0 110.58 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.1 105.55 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.348 0.594 . . . . 0.0 109.494 174.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 m -84.06 104.89 14.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.598 -175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.65 HG21 ' HA ' ' A' ' 122' ' ' LYS . 2.3 m . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -80.89 136.93 36.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.109 -173.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.939 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.4 mm? -104.57 145.2 30.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.999 174.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 2.9 tppp? -106.3 109.45 21.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.666 175.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.462 HG23 HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -101.65 133.7 44.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -137.42 171.63 14.18 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.313 -0.242 . . . . 0.0 110.505 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER 64.12 29.28 14.12 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.928 0.767 . . . . 0.0 109.142 -172.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD13 HG23 ' A' ' 75' ' ' VAL . 9.6 tp -64.26 145.42 56.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.311 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.9 p -90.37 166.2 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -56.83 -44.92 82.54 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.302 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HD3' ' CG ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -88.88 15.1 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.284 -172.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.522 HG23 HG21 ' A' ' 86' ' ' THR . 96.5 m -73.68 122.72 22.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.719 0.295 . . . . 0.0 110.531 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.773 ' O ' ' HB ' ' A' ' 86' ' ' THR . 59.3 p -111.86 165.02 13.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 83' ' ' SER . 11.1 Cg_endo -55.86 -36.35 95.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.143 1.895 . . . . 0.0 111.27 174.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.97 -37.16 83.74 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.249 175.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.773 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -51.0 -57.39 8.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.646 178.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.585 HD22 ' HE1' ' A' ' 91' ' ' PHE . 36.0 mt -76.95 -38.54 53.13 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.027 -175.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -55.65 -50.81 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.084 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 86' ' ' THR . 1.8 t -75.22 -53.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.839 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.585 ' HE1' HD22 ' A' ' 87' ' ' LEU . 54.3 m-85 -63.55 -39.47 94.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -62.18 -14.67 39.94 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.409 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HB2' ' NZ ' ' A' ' 93' ' ' LYS . 4.7 ttmp? -79.58 -28.27 41.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.146 0.498 . . . . 0.0 110.711 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -84.62 -32.65 23.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.46 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -166.28 179.91 40.05 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' C ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -80.32 98.33 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.153 0.477 . . . . 0.0 110.264 -178.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 92' ' ' GLU . 7.7 p -91.69 130.39 40.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.535 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.52 -45.9 12.94 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -164.58 158.6 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.4 m -117.88 133.92 63.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.88 0.371 . . . . 0.0 110.086 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -113.75 99.14 7.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.16 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.465 HG12 ' HB1' ' A' ' 115' ' ' ALA . 24.7 mt . . . . . 0 C--N 1.323 -0.572 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.0 p90 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.465 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -141.36 159.51 42.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.88 175.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -118.82 148.58 42.71 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.162 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.939 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.0 m -130.25 132.05 65.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.873 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -97.5 110.83 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.227 -174.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 25.4 m-85 -103.09 158.14 16.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.738 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -58.01 -54.25 49.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.285 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.908 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 16.4 t70 -140.61 173.25 11.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.65 ' HA ' HG21 ' A' ' 71' ' ' THR . 76.0 tttt -63.5 -27.9 69.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.908 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.1 ptt180 -51.14 -43.62 61.24 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.553 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.555 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 9.9 m-20 -79.38 -32.98 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.022 -176.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -75.74 -33.6 60.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.723 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.54 ' O ' ' HE3' ' A' ' 129' ' ' MET . 50.7 mt-10 -63.77 -52.27 61.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.829 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.25 -25.75 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.895 0.378 . . . . 0.0 110.668 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 91' ' ' PHE . . . -79.0 -53.05 7.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.62 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.617 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.25 -39.4 92.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.398 -175.41 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.59 -36.53 84.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.33 0.586 . . . . 0.0 110.055 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.72 -49.35 26.05 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.766 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.604 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 93.4 mmm -84.04 -17.16 41.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.757 -168.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.58 89.82 0.73 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.783 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 110.62 22.29 6.44 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.652 -171.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.636 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.57 135.22 46.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 122.122 0.169 . . . . 0.0 110.884 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 5.5 t -96.01 109.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.013 -176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.636 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.17 -13.53 46.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 110.124 177.442 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.495 ' N ' HD13 ' A' ' 137' ' ' LEU . 16.1 t70 -160.49 -76.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.053 -176.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.88 15.26 2.85 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -133.77 129.7 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.783 -0.708 . . . . 0.0 110.101 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.783 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 23.4 mp0 -79.93 105.5 11.26 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.1 mm? -54.25 142.99 24.32 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.574 0.546 . . . . 0.0 111.398 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -93.78 80.79 4.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.343 174.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 132' ' ' MET . 41.9 t -91.6 109.51 21.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.111 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -118.83 166.06 13.27 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.73 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 17.0 mmt -69.5 116.95 10.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.048 0.451 . . . . 0.0 109.969 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.533 0.682 . . . . 0.0 109.186 176.276 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 96.2 mmm . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.084 0.469 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -96.08 105.18 17.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.384 -176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' THR . 25.5 m-85 -94.58 139.56 31.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.321 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.676 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 13.9 tppt? -110.25 129.67 55.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -176.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 30' ' ' PHE . 39.1 tp -100.53 124.48 46.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 176.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.6 mm -104.01 104.0 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.609 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.788 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 3.8 mt -87.5 118.69 27.14 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.502 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.59 36.18 4.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.749 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -75.46 -177.59 41.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.099 -170.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -59.67 -48.65 80.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.013 0.435 . . . . 0.0 110.124 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -107.02 -65.04 1.13 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.097 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 tp -69.36 116.28 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.145 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 32.9 mtmm -128.76 97.06 4.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.153 174.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.788 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.86 169.26 29.34 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.239 -173.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.676 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 2.2 mp0 -129.47 106.33 8.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.44 ' O ' ' HD3' ' A' ' 4' ' ' LYS . 14.5 t -125.79 173.23 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.873 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 21.2 p -131.45 172.17 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.458 . . . . 0.0 111.646 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -159.24 145.4 16.48 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.872 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -79.29 102.89 8.86 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.7 37.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 -175.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -69.08 -26.44 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.449 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -138.36 153.55 48.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.359 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -36.46 73.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.352 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.25 -36.11 78.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 110.144 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.8 m -64.73 -40.33 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.068 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.63 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.2 pt-20 -64.16 -31.38 72.56 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.939 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -60.98 -44.93 96.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.843 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.22 -44.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.38 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.573 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.9 m-30 -63.25 -36.35 83.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.033 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -65.01 -44.32 89.59 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.569 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -68.47 -44.94 73.74 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.22 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.5 -44.21 96.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.723 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -65.46 -53.5 41.88 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.558 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -66.62 -30.21 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.712 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.65 -36.05 78.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.985 0.422 . . . . 0.0 110.67 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -84.71 -44.73 13.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.79 38.87 0.17 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 119.901 -1.143 . . . . 0.0 113.635 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.723 HG13 ' HB1' ' A' ' 34' ' ' ALA . 2.8 p -129.76 110.28 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.471 0.653 . . . . 0.0 111.67 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.97 79.26 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.81 -171.62 17.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.108 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 9.8 tp10 -72.94 116.25 13.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.865 0.466 . . . . 0.0 110.155 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -84.95 108.33 17.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -112.93 115.5 28.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.887 0.375 . . . . 0.0 110.135 173.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 50.7 t80 -107.08 134.85 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.055 0.455 . . . . 0.0 111.585 -176.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -107.29 120.63 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.063 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 4.7 p-10 -79.59 -17.39 53.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.79 -42.68 33.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.638 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -96.21 -9.18 31.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.394 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 60.1 42.91 14.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.672 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 4' ' ' LYS . 35.4 p -109.95 123.45 49.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.589 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -97.94 111.96 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.502 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 47.8 m -100.29 114.49 28.01 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.9 104.78 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.932 0.872 . . . . 0.0 109.295 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 7.2 m -89.64 117.53 28.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.719 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.749 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 6.4 tp10 . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.446 -0.66 0 CA-C-O 121.113 0.483 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 m -99.51 161.71 13.46 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.892 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.068 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -112.74 142.47 45.33 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 2.3 tmtp? -118.2 104.33 10.69 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -97.9 126.49 50.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -124.47 175.69 6.97 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 62.93 19.11 11.37 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -172.481 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 HG21 ' A' ' 82' ' ' THR . 32.4 tp -71.76 145.27 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.489 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.5 p -86.29 155.36 20.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.139 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -83.14 -7.91 59.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.246 0.546 . . . . 0.0 110.18 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -87.15 11.84 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.42 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 HD11 ' A' ' 78' ' ' LEU . 36.4 m -96.09 121.25 37.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.547 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.683 ' O ' ' HB ' ' A' ' 86' ' ' THR . 4.2 m -100.56 154.35 37.23 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.831 ' HA ' HD12 ' A' ' 102' ' ' ILE . 88.8 Cg_exo -44.35 -52.23 6.05 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.508 2.805 . . . . 0.0 114.587 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.576 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 41.1 m-20 -60.41 -24.74 65.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.814 0.34 . . . . 0.0 111.384 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.683 ' HB ' ' O ' ' A' ' 83' ' ' SER . 7.9 m -58.48 -57.08 14.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.234 176.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 102' ' ' ILE . 21.0 mt -70.86 -31.47 68.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.508 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HD2' ' HA ' ' A' ' 85' ' ' ASP . 77.2 mtt180 -52.95 -55.07 26.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.75 -40.98 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.813 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 86' ' ' THR . 2.7 t -75.14 -47.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.841 0.353 . . . . 0.0 111.381 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 31.8 m-85 -70.86 -36.16 72.7 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -16.45 50.66 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.09 -35.48 64.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -84.93 -26.87 26.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.471 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.725 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -170.57 170.51 43.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.406 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -74.75 98.51 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.15 0.5 . . . . 0.0 110.63 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.1 p -88.78 134.23 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.871 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 -50.91 4.51 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -158.91 160.9 36.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 84' ' ' PRO . 30.6 m -117.86 -6.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 123.033 0.208 . . . . 0.0 111.509 -176.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 21.6 t80 61.31 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 112.521 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 84' ' ' PRO . 21.9 mt . . . . . 0 C--N 1.322 -0.604 0 C-N-CA 124.127 0.971 . . . . 0.0 112.294 -176.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.0 p90 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.558 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -136.87 144.62 43.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 127.6 47.91 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 1.068 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -122.84 147.37 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -169.099 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -108.02 116.57 32.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.595 -175.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 5.8 m-30 -102.97 169.43 8.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.147 174.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -76.82 -66.03 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.615 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.882 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.4 m-20 -124.02 172.63 8.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.709 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 57.7 tttp -61.2 -25.8 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.205 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.882 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 19.4 ptt180 -53.66 -40.61 66.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.378 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.725 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 14.9 m-20 -76.19 -42.75 45.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 -175.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -78.82 -31.31 45.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.132 -170.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.709 ' HG2' ' HG2' ' A' ' 122' ' ' LYS . 50.7 mm-40 -59.34 -44.07 92.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.447 0.641 . . . . 0.0 110.734 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -31.51 67.38 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.996 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.8 -53.37 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.586 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -60.89 -31.19 70.69 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.674 0.274 . . . . 0.0 111.361 -174.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.13 -50.29 13.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.478 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.56 -39.26 64.82 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.505 ' HG3' ' CB ' ' A' ' 135' ' ' ALA . 24.1 ttm -86.25 -7.9 58.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.868 0.366 . . . . 0.0 111.497 -174.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 15.3 t70 -68.19 92.44 0.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 114.65 22.34 5.11 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.212 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.624 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -96.12 110.64 22.87 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 122.31 0.244 . . . . 0.0 111.14 177.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.604 ' HA ' ' HA ' ' A' ' 141' ' ' GLU . 21.8 t -78.85 111.83 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.846 0 CA-C-O 122.75 1.262 . . . . 0.0 110.8 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.767 ' HB2' HD21 ' A' ' 142' ' ' LEU . 1.6 tm? -76.15 -35.73 59.08 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 112.514 -2.13 . . . . 0.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.421 ' HB2' HD13 ' A' ' 137' ' ' LEU . 29.7 t70 -158.2 -62.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.817 -177.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.38 8.28 3.45 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 11.4 tpp180 -140.0 135.36 32.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.475 -0.862 . . . . 0.0 109.891 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.3 pm0 -85.14 122.18 28.97 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 137' ' ' LEU . 1.2 mm? -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.5 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.446 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 16.0 tpp180 -89.84 79.46 6.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 172.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.488 HG21 ' HG2' ' A' ' 132' ' ' MET . 40.3 t -85.92 119.74 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.369 0.604 . . . . 0.0 110.774 -175.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -118.22 169.26 9.85 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.713 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 42.0 ttm -89.08 116.9 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.048 172.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.275 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mtp . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 18' ' ' THR . 8.4 tt0 -80.84 121.56 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -175.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -112.09 134.69 53.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.092 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.729 ' HE3' HG23 ' A' ' 17' ' ' THR . 1.5 tpmt? -102.53 126.28 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.606 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 52' ' ' PHE . 61.6 tp -103.05 122.96 45.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.081 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.8 mm -111.77 107.74 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD22 HD21 ' A' ' 12' ' ' LEU . 5.2 mp -87.45 99.25 11.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.161 0.505 . . . . 0.0 110.095 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.636 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 12.4 t-20 -88.46 41.06 0.99 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.714 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -73.44 157.79 52.17 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.294 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -89.82 -23.08 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 171.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -77.53 -51.09 11.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.88 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.859 HD21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.18 161.83 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.655 177.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 4.7 ttmp? -150.09 101.91 3.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 110.459 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 -176.26 22.93 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.778 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -110.88 161.32 15.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.978 0.418 . . . . 0.0 110.734 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 5' ' ' LEU . 9.2 t -167.11 143.13 4.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.249 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.729 HG23 ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -132.56 164.09 27.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -177.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 13.4 t -153.43 141.11 19.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.59 79.58 9.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -89.68 144.03 26.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.698 -171.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.6 m -79.76 -31.22 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.073 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -137.47 149.3 46.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.112 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.87 87.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.57 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -73.02 -27.45 61.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.171 0.51 . . . . 0.0 109.944 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 79.3 m -69.8 -45.17 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.787 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -61.65 -50.77 71.17 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.361 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.74 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 11.1 pt-20 -62.33 -30.66 71.32 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.188 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.1 -35.54 80.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.289 0.566 . . . . 0.0 110.667 -178.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 25' ' ' THR . 25.6 t -75.61 -33.47 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.583 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.52 -33.22 74.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.791 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.74 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptp? -58.05 -43.78 87.06 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.27 172.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.48 -45.57 92.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.514 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.425 ' HD2' HD21 ' A' ' 7' ' ' LEU . 15.5 t80 -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.88 -40.22 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -69.06 -36.9 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.203 0.525 . . . . 0.0 110.684 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.747 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 22.8 m-80 -82.99 -19.81 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.194 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.63 38.07 9.98 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.044 -0.598 . . . . 0.0 113.405 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG11 HD23 ' A' ' 7' ' ' LEU . 6.3 p -108.88 134.91 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.076 0.465 . . . . 0.0 110.643 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -132.65 107.45 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.44 -177.37 20.15 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.425 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.66 109.85 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.505 ' CZ2' ' HD2' ' A' ' 31' ' ' LYS . 63.4 m95 -70.12 99.51 1.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.263 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.17 109.63 19.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.257 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.596 ' HA ' ' O ' ' A' ' 51' ' ' THR . 45.7 t80 -106.92 121.64 44.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.95 0.405 . . . . 0.0 110.704 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD2' HG22 ' A' ' 49' ' ' THR . 25.2 t70 -105.1 115.7 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.21 -32.12 73.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.27 -173.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.97 85.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.783 0.325 . . . . 0.0 111.642 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.48 HG22 ' OD2' ' A' ' 46' ' ' ASP . 4.0 t -106.25 -1.96 22.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.159 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm 60.36 37.17 20.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.596 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 40.5 p -103.38 123.69 47.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.062 0.458 . . . . 0.0 112.155 -175.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' HD12 ' A' ' 5' ' ' LEU . 67.4 m-85 -94.38 111.97 23.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 166.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 m -113.87 122.61 47.56 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -97.53 103.54 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 174.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.636 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.2 m -87.07 96.52 10.32 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.676 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 41.9 tt0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.081 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.448 -0.554 0 CA-C-O 121.276 0.56 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -96.29 149.28 21.86 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.856 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.981 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -111.64 141.47 45.2 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.942 0.401 . . . . 0.0 110.943 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -104.97 104.78 14.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -93.88 126.13 46.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.275 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -112.91 158.35 20.32 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.513 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 89.2 m-20 61.96 75.88 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.748 0.655 . . . . 0.0 110.17 -177.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.59 ' CD2' HD21 ' A' ' 137' ' ' LEU . 1.3 mt -100.31 -172.73 2.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.997 0.903 . . . . 0.0 111.945 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.436 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.8 p -119.88 160.14 23.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.729 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -72.63 -3.05 22.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 0.0 111.985 -171.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 34.34 5.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.142 0.496 . . . . 0.0 111.281 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.471 ' OG1' HD22 ' A' ' 78' ' ' LEU . 27.3 m -109.37 100.09 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.172 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.643 ' O ' ' HB ' ' A' ' 86' ' ' THR . 14.8 m -95.75 160.25 30.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.692 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.2 Cg_endo -43.65 -48.16 8.98 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.324 2.683 . . . . 0.0 114.034 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.39 -21.67 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.55 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.9 m -64.33 -58.07 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 177.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 102' ' ' ILE . 16.2 mt -71.4 -28.25 63.88 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.588 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.559 ' HB2' HG21 ' A' ' 100' ' ' VAL . 18.3 ttt180 -56.95 -42.04 79.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.66 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 30.2 ttp180 -75.16 -39.23 60.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.348 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 86' ' ' THR . 20.4 t -73.72 -45.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.808 -175.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.659 ' HE1' HD22 ' A' ' 87' ' ' LEU . 33.6 m-85 -74.44 -27.34 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -174.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.0 pt-20 -65.01 -13.75 58.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 111.008 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -62.46 -48.49 79.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.832 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -83.78 -38.93 20.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.786 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.521 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -149.38 171.91 29.48 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.794 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -80.83 97.77 7.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.354 0.597 . . . . 0.0 111.134 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.627 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 2.5 p -85.37 120.31 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.797 174.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.05 -28.7 30.39 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' HB3' ' HE ' ' A' ' 118' ' ' ARG . 33.0 t70 -159.83 160.69 34.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 88' ' ' ARG . 7.7 m -137.75 154.62 29.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.955 0.407 . . . . 0.0 110.517 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.461 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 65.7 t80 -137.93 89.33 2.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.75 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.88 HG12 ' HB1' ' A' ' 115' ' ' ALA . 56.5 mt . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 48.1 p90 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.616 0.246 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.88 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.29 159.09 44.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.002 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 97.3 m-85 -123.99 141.67 51.84 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.949 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.981 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.4 m -130.18 139.39 51.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HE ' ' HB3' ' A' ' 99' ' ' ASP . 15.1 ttp180 -122.64 109.94 14.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 111.587 -171.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.666 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 74.9 m-85 -93.01 169.78 10.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.265 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -65.68 -60.79 2.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.782 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.6 t70 -127.38 167.31 16.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.874 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -60.44 -24.81 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.644 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.782 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.4 ptp180 -56.54 -37.96 71.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.207 176.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.0 m-20 -79.51 -32.32 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.243 0.544 . . . . 0.0 110.023 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.411 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -75.96 -38.09 57.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.531 -173.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.512 ' O ' ' HE3' ' A' ' 129' ' ' MET . 40.5 mt-10 -64.84 -43.23 93.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 0.0 111.044 -177.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.82 -28.6 69.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.963 0.411 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.59 6.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.238 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.57 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -61.9 -34.79 76.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.706 -172.765 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.31 -40.68 50.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.397 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.918 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.665 ' HB3' HG21 ' A' ' 144' ' ' VAL . 27.6 tpp -82.3 -16.85 47.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -174.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -72.2 96.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 170.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.614 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 103.15 21.36 10.11 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -170.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.664 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.28 135.52 51.7 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 122.493 0.317 . . . . 0.0 110.55 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.711 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 22.8 t -95.82 116.6 37.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.203 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.734 ' HG ' HD21 ' A' ' 142' ' ' LEU . 0.2 OUTLIER -93.07 -5.33 50.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.551 177.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -169.5 -73.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.77 -174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.06 38.19 0.85 Allowed Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.711 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 10.3 tpp180 -159.7 136.06 8.98 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.784 -0.708 . . . . 0.0 109.872 -176.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 2.0 mp0 -82.93 112.23 19.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.734 HD21 ' HG ' ' A' ' 137' ' ' LEU . 1.8 mm? -56.57 145.22 28.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -103.54 83.03 2.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 171.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.665 HG21 ' HB3' ' A' ' 132' ' ' MET . 25.1 t -90.0 113.42 26.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.076 -173.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -108.66 158.27 17.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.071 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.3 tpp -77.94 121.39 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.509 . . . . 0.0 110.873 -177.409 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.437 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 83.7 mtp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -91.86 102.07 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.343 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 17' ' ' THR . 51.5 m-85 -96.81 134.1 40.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.338 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.868 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 2.9 tppp? -107.59 126.41 52.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 54.3 tp -98.82 122.94 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.162 174.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.577 HD13 ' HB3' ' A' ' 15' ' ' GLU . 49.9 mm -104.14 105.02 17.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.763 HD22 HD12 ' A' ' 12' ' ' LEU . 4.5 mp -89.78 111.16 22.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.427 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 9.0 t-20 -96.91 41.19 1.12 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.827 -177.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 151.07 31.59 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.251 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 9.3 mtmp? -72.71 -29.59 63.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.053 0.454 . . . . 0.0 110.087 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 m -97.0 -42.76 7.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.288 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.763 HD12 HD22 ' A' ' 7' ' ' LEU . 2.5 tm? -121.09 102.62 8.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.076 0.465 . . . . 0.0 110.104 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.5 ttmt -120.57 102.06 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.605 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.67 -174.07 21.36 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.587 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.868 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 1.1 pp20? -146.06 138.19 25.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.01 0.433 . . . . 0.0 110.902 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -150.48 173.2 14.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.183 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 24.2 p -125.73 167.42 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.529 . . . . 0.0 111.948 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.41 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 10.4 t -147.16 137.56 23.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.974 170.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -77.11 92.39 3.77 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.64 137.23 52.34 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.87 -19.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.546 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -146.4 158.92 43.95 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.697 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.013 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.2 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.0 m -60.1 -41.83 93.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.34 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.21 62.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.58 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.78 -29.76 70.95 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.588 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -60.3 -49.81 76.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 0.0 110.909 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.0 -39.18 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.462 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.6 m-30 -63.82 -35.53 80.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.083 176.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -68.98 -37.39 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.7 -46.49 85.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.979 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' HD2' HD21 ' A' ' 7' ' ' LEU . 30.9 t80 -62.68 -51.8 65.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 -48.29 81.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.52 -40.83 98.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.249 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.87 -29.68 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.411 . . . . 0.0 110.809 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 23.0 m-80 -84.98 -18.27 35.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.588 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.42 5.49 51.98 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.52 -0.848 . . . . 0.0 113.497 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.98 120.41 50.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.312 0.577 . . . . 0.0 111.229 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -129.74 133.58 47.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.62 -162.02 13.81 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.095 -175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.8 110.52 8.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.208 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -75.57 99.36 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.212 0.53 . . . . 0.0 110.421 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.36 115.14 28.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.956 -176.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -108.39 121.85 45.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.84 115.68 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.92 -29.45 69.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -53.35 34.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.378 . . . . 0.0 111.688 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -91.75 -4.7 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.947 -175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 61.29 39.08 15.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.368 0.604 . . . . 0.0 109.882 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.699 HG22 ' HB3' ' A' ' 4' ' ' LYS . 15.2 p -113.0 127.21 56.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.097 -173.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -93.32 112.07 23.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.6 m -105.77 115.09 29.65 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.2 p -97.97 104.07 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 122.003 0.906 . . . . 0.0 109.356 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.427 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.1 m -86.03 103.43 14.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.932 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.359 0.6 . . . . 0.0 110.894 -176.179 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 125' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.211 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -99.89 149.06 23.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.065 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.997 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -110.47 136.33 49.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.838 0.351 . . . . 0.0 111.212 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.2 tppp? -99.85 115.77 30.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.859 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.16 127.95 57.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -133.77 166.66 22.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.316 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 51.3 m-80 65.69 25.51 11.5 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -168.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 82' ' ' THR . 41.0 tp -73.46 148.95 42.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.037 -173.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 p -82.62 163.28 21.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 111.982 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -78.4 -7.99 57.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.645 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 18.92 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 111.441 -176.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 HG22 HD13 ' A' ' 102' ' ' ILE . 61.4 m -80.95 126.16 31.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.015 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.747 ' O ' ' HB ' ' A' ' 86' ' ' THR . 39.8 m -106.39 157.23 35.46 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.687 ' HA ' HD12 ' A' ' 102' ' ' ILE . 53.5 Cg_exo -52.49 -39.63 73.92 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.455 2.103 . . . . 0.0 112.527 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 -38.07 77.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.349 0.595 . . . . 0.0 110.063 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.0 m -54.3 -57.34 11.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.249 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 91' ' ' PHE . 23.6 mt -73.68 -41.23 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.542 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -54.43 -46.98 73.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -54.36 -46.44 73.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 86' ' ' THR . 3.1 t -74.49 -51.5 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.557 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.599 ' HE2' HD22 ' A' ' 87' ' ' LEU . 46.1 m-85 -65.08 -32.87 74.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.7 pt-20 -66.52 -9.95 39.91 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.662 0.267 . . . . 0.0 111.689 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -67.84 -46.86 70.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.505 ' HE2' ' SD ' ' A' ' 132' ' ' MET . 17.3 m-85 -84.23 -45.29 13.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.986 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -140.48 173.31 23.14 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.512 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -85.03 100.38 11.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.136 0.493 . . . . 0.0 110.416 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.73 126.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.341 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.6 -50.33 3.17 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.672 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -141.85 126.39 17.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.629 0.252 . . . . 0.0 110.845 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.03 143.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.58 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -127.01 104.25 7.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.851 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 84' ' ' PRO . 59.4 mt . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.905 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.467 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -147.11 165.35 30.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -124.97 142.15 51.67 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.445 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 73' ' ' LEU . 8.8 m -132.03 131.22 61.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.997 176.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.75 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 29.6 m-85 -105.77 168.27 9.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.29 0.567 . . . . 0.0 112.058 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.405 ' HB3' ' OD1' ' A' ' 124' ' ' ASP . 33.0 t-80 -61.23 -68.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.173 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.56 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 30.2 t70 -128.27 174.15 9.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.588 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.501 ' HA ' HG21 ' A' ' 71' ' ' THR . 48.9 tttm -59.63 -31.3 69.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.56 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 16.5 ptt180 -59.41 -37.86 79.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.975 0.417 . . . . 0.0 110.506 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.7 m-20 -73.16 -36.38 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 109.743 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 71' ' ' THR . . . -70.85 -38.66 73.19 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.844 -177.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.617 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 43.9 mt-10 -69.16 -43.75 73.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.443 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -39.13 67.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.701 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.9 -52.37 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.01 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.997 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -63.94 -30.4 71.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.28 -173.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.16 -43.27 43.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.437 . . . . 0.0 110.147 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.59 -56.4 4.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.618 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.581 ' HB3' HG21 ' A' ' 144' ' ' VAL . 81.4 mmm -71.99 -12.22 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.044 -165.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.29 85.23 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.592 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 117.4 27.74 2.54 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.821 -170.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -110.08 125.67 53.21 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 122.15 0.18 . . . . 0.0 111.212 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.0 t -88.3 112.91 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.987 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.601 ' HB3' HD21 ' A' ' 142' ' ' LEU . 1.0 OUTLIER -93.99 -8.89 38.66 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.132 0.491 . . . . 0.0 110.787 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -160.81 -76.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.004 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.71 2.71 2.5 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.643 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 17.2 tpp180 -125.32 134.76 52.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.736 -0.732 . . . . 0.0 110.326 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -86.04 109.71 19.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -58.88 151.52 21.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.098 -171.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.77 93.44 5.81 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.786 HG12 HD12 ' A' ' 73' ' ' LEU . 48.5 t -103.43 127.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.009 -170.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.472 ' O ' HD13 ' A' ' 73' ' ' LEU . 20.0 mt-30 -130.11 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.694 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.6 ttm -71.55 116.8 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 120.939 0.4 . . . . 0.0 111.342 -172.448 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.794 0.33 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -131.9 130.82 42.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.028 0.442 . . . . 0.0 110.213 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -112.45 150.41 31.23 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.796 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.034 ' HG2' HG22 ' A' ' 17' ' ' THR . 36.4 mtpt -115.05 161.04 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.046 0.45 . . . . 0.0 111.417 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -120.79 118.24 29.49 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.805 172.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.2 mm -98.42 107.18 19.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.957 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.2 103.0 15.72 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 76.9 m-20 -97.6 39.54 1.2 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.527 175.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.619 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -91.62 160.0 26.29 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.412 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 19.6 pttm -73.83 -29.44 62.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.468 176.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.5 p -86.39 -35.55 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.247 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.957 HD12 HD22 ' A' ' 7' ' ' LEU . 2.6 tm? -142.88 123.99 14.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.269 -177.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.2 tmtm? -123.0 97.1 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.66 -174.53 21.79 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.904 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.15 157.45 43.11 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 9.0 t -167.35 164.44 15.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 175.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.034 HG22 ' HG2' ' A' ' 4' ' ' LYS . 70.8 p -134.47 161.86 33.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -154.49 141.37 19.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.294 170.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.45 84.88 7.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.466 0.651 . . . . 0.0 109.398 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.2 136.88 42.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.665 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.65 -14.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.0 t70 -143.74 150.61 38.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.566 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.85 91.46 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.357 0.41 . . . . 0.0 111.493 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.519 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.87 -31.5 71.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 24.9 m -66.52 -40.55 89.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.762 176.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.58 -49.62 57.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.479 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 12.9 pt-20 -59.09 -37.74 77.84 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.2 -39.12 91.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 111.271 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -71.51 -39.11 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.189 0.519 . . . . 0.0 110.392 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.3 m-30 -67.73 -32.85 73.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.905 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.26 -31.17 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -66.69 -38.57 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.934 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -72.09 -47.02 54.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.253 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.442 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -71.78 -26.21 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.866 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -68.04 -41.23 82.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.46 0.647 . . . . 0.0 109.66 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 42.3 m-80 -88.48 -3.36 58.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.881 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 30.56 62.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.635 -0.711 . . . . 0.0 113.324 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.1 p -110.41 113.49 44.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.384 0.611 . . . . 0.0 111.111 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 2.9 m-20 -117.52 97.14 5.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.89 175.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.38 -165.37 14.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.56 105.99 14.06 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -66.37 98.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -105.1 115.58 30.51 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.793 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -112.28 128.98 56.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.166 0.508 . . . . 0.0 111.052 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.31 116.81 29.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.74 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -75.05 -12.42 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.79 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.56 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -94.6 -2.1 52.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.046 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 58.19 48.37 12.91 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.347 0.594 . . . . 0.0 110.812 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.686 HG22 ' HB2' ' A' ' 4' ' ' LYS . 21.5 p -113.31 119.44 37.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.443 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.7 m-85 -90.24 127.08 36.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.2 m -121.72 128.37 51.71 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 120.555 0.216 . . . . 0.0 110.683 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -97.26 102.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -86.69 102.34 14.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.298 -0.865 . . . . 0.0 108.977 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.587 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.265 -174.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 121.247 0.546 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -105.28 139.04 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.598 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.881 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -114.53 144.72 42.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.122 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.2 OUTLIER -105.94 116.06 31.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.734 173.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -103.1 119.34 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 173.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.92 -177.38 3.82 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.129 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.574 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.0 m120 62.04 24.09 14.3 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -170.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.696 HD11 HG21 ' A' ' 82' ' ' THR . 21.5 tp -61.64 148.27 43.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.688 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.413 ' OG1' HD11 ' A' ' 137' ' ' LEU . 1.0 OUTLIER -73.42 166.79 22.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.615 -179.438 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -96.02 25.47 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.236 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 33.07 0.55 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.696 HG21 HD11 ' A' ' 78' ' ' LEU . 1.3 m -89.98 129.13 36.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -113.77 141.39 26.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.462 0.172 . . . . 0.0 111.284 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HG3' ' HB ' ' A' ' 102' ' ' ILE . 16.5 Cg_exo -64.34 82.28 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.389 2.726 . . . . 0.0 111.89 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -179.22 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.846 HG21 HD23 ' A' ' 137' ' ' LEU . 1.3 m -54.92 -57.0 13.4 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.075 173.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.0 mt -64.16 -39.32 93.75 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.29 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.683 ' HB2' HG21 ' A' ' 100' ' ' VAL . 49.2 ttp180 -54.29 -55.8 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -52.39 -44.53 65.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.13 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 86' ' ' THR . 2.7 t -74.76 -44.06 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.785 0.326 . . . . 0.0 111.858 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.599 ' HE2' HD22 ' A' ' 87' ' ' LEU . 52.5 m-85 -73.51 -37.43 65.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -175.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.5 pt-20 -63.92 -18.96 64.74 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 110.953 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 90' ' ' VAL . 55.8 tttp -63.22 -44.9 93.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.315 175.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -83.98 -31.87 25.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.073 -175.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -161.08 -178.48 35.09 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.103 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 96' ' ' ARG . 20.2 ttt180 -79.83 97.51 6.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 110.691 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.54 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 12.2 p -103.64 139.44 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.828 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.87 -60.29 0.65 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.281 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.42 136.63 47.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.683 HG21 ' HB2' ' A' ' 88' ' ' ARG . 9.7 m -124.15 93.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 122.119 0.961 . . . . 0.0 109.602 171.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -85.28 95.29 9.15 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.654 -173.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.52 HD11 ' HG ' ' A' ' 87' ' ' LEU . 32.8 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.552 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -137.6 157.23 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.508 . . . . 0.0 112.219 -175.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -129.78 150.61 51.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.278 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.881 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.0 m -131.77 144.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.891 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -120.62 116.85 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 0.0 111.145 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.67 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 84.1 m-85 -98.32 170.51 8.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.193 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.85 -47.9 60.89 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.834 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.943 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 9.0 m-20 -134.78 -177.45 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 0.0 110.262 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.601 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 74.9 tttt -67.55 -28.37 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.048 176.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.943 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 6.0 ptm180 -53.25 -43.19 67.16 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 11.7 m-20 -78.81 -27.8 44.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.036 -177.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 73' ' ' LEU . . . -78.35 -37.41 44.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.355 -175.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.607 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.59 -31.76 68.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 110.7 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.464 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -79.93 -53.22 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.801 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.607 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -68.76 -26.75 65.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.675 0.274 . . . . 0.0 111.366 -174.71 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.23 -38.07 56.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.279 0.561 . . . . 0.0 109.888 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.17 -49.76 16.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.754 0.788 . . . . 0.0 112.343 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 134' ' ' GLY . 80.2 mmm -90.07 10.42 24.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.294 -164.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.593 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 3.1 p-10 -79.71 10.91 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.88 0.848 . . . . 0.0 109.952 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 132' ' ' MET . . . -167.28 56.79 0.23 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.126 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.635 ' C ' ' HA ' ' A' ' 141' ' ' GLU . . . -127.76 119.87 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.335 . . . . 0.0 111.443 -173.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 44.0 t -83.19 114.04 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.972 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.846 HD23 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.52 -19.64 30.85 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 -178.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 137' ' ' LEU . 13.9 t70 -170.29 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.063 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -131.61 -24.83 0.8 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.735 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.644 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 25.4 tpt180 -121.87 142.55 50.14 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.678 0.275 . . . . 0.0 111.399 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.635 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 1.3 pm0 -77.94 106.93 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.189 165.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -53.29 145.06 14.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.836 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.437 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 26.8 tpt180 -97.76 84.39 3.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 173.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.593 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 54.8 t -90.14 112.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.895 -176.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.818 HE21 ' HA ' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -119.13 150.04 40.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.476 -0.784 . . . . 0.0 108.935 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.59 ' HA ' HD13 ' A' ' 73' ' ' LEU . 44.8 ttm -64.01 116.88 6.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 111.843 -169.324 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -96.79 121.34 38.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.472 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.2 146.39 43.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.442 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.641 ' HG2' HG22 ' A' ' 51' ' ' THR . 1.2 tpmt? -118.18 123.04 44.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.426 -176.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 30' ' ' PHE . 65.8 tp -96.49 123.31 40.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.8 mm -112.18 108.15 24.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.869 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -88.6 105.02 17.38 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.185 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.516 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.0 t-20 -97.25 44.33 1.05 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -71.73 167.84 52.05 Favored Glycine 0 N--CA 1.437 -1.265 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.11 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -83.32 -19.87 35.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.635 0.731 . . . . 0.0 109.029 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.2 m -120.29 -48.8 2.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.651 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.869 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -100.51 110.48 22.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.155 0.503 . . . . 0.0 110.634 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.5 tttp -120.85 106.87 12.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.474 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.602 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.38 -175.7 21.96 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.092 -1.051 . . . . 0.0 113.053 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -133.48 152.2 51.88 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.53 0.332 . . . . 0.0 110.178 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 5' ' ' LEU . 14.3 t -164.74 153.04 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.11 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.439 ' CG2' ' HE3' ' A' ' 4' ' ' LYS . 20.4 p -126.83 165.64 18.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.508 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -157.62 145.45 18.79 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -85.0 85.17 7.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -102.25 146.29 28.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.99 -174.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -99.18 -31.1 3.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.58 15.65 14.58 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 119.557 -0.857 . . . . 0.0 112.827 -168.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.01 -56.41 0.36 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.073 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.9 -29.54 70.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.413 0.625 . . . . 0.0 109.829 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 m -62.64 -34.92 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.551 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.64 -53.1 14.73 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.117 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.4 pt-20 -59.06 -33.59 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.314 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -61.43 -45.03 96.03 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.78 -36.95 72.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.6 m-30 -64.68 -31.39 72.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.843 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.4 mttm -68.34 -36.72 79.67 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.066 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -64.73 -36.47 84.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.141 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' HD1' HD21 ' A' ' 7' ' ' LEU . 33.8 t80 -68.82 -51.38 41.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.04 -50.86 71.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.698 -177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.65 -38.3 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.435 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.89 -32.87 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 110.404 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.81 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 34.0 m-80 -86.37 -13.07 47.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.002 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.99 14.91 44.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.808 -0.71 . . . . 0.0 114.092 170.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.2 131.52 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.331 0.566 . . . . 0.0 111.983 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -133.09 134.09 43.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.53 -165.61 13.44 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.555 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.24 98.26 2.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -65.09 99.34 0.36 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.45 116.87 32.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.389 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 66.0 t80 -110.27 121.49 45.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.977 0.418 . . . . 0.0 111.051 -177.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -94.0 124.13 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.126 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.3 -17.54 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.147 -174.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.07 -36.37 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.5 p -110.51 -11.01 14.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 63.89 34.27 11.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.073 0.463 . . . . 0.0 110.87 -173.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.641 HG22 ' HG2' ' A' ' 4' ' ' LYS . 21.5 p -92.86 118.61 31.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.321 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' HD12 ' A' ' 5' ' ' LEU . 58.5 m-85 -93.72 111.92 23.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 169.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 m -109.44 125.08 52.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.235 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -96.92 103.93 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.516 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 16.8 m -87.57 110.86 20.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.181 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.69 0.281 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -99.02 140.19 33.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.268 0.556 . . . . 0.0 111.1 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.749 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.8 mm? -108.92 149.35 29.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.932 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -115.06 126.07 54.28 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -111.33 138.37 40.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -139.55 177.17 8.12 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 50.1 m-80 63.25 27.39 15.49 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -170.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.487 HD11 HG21 ' A' ' 82' ' ' THR . 17.6 tp -71.99 148.16 46.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.36 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 138' ' ' ASP . 4.2 p -79.66 6.68 10.07 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 70.24 -30.93 0.21 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.054 0.541 . . . . 0.0 112.279 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 79' ' ' THR . 14.7 ptm180 -77.37 -21.12 53.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.987 0.423 . . . . 0.0 110.419 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 78' ' ' LEU . 15.7 m -54.0 125.65 19.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.704 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.786 ' O ' ' HB ' ' A' ' 86' ' ' THR . 29.5 m -99.72 155.57 36.33 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.201 177.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.487 ' HA ' HD12 ' A' ' 102' ' ' ILE . 7.8 Cg_endo -50.68 -48.23 21.48 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.878 2.385 . . . . 0.0 113.059 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.24 -20.91 63.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.79 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.786 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -59.76 -56.81 17.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.71 175.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.582 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.6 mt -69.42 -38.35 77.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.938 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.449 ' HB2' HG21 ' A' ' 100' ' ' VAL . 34.2 ttt180 -53.24 -50.22 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.909 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -55.23 -46.59 75.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.119 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 86' ' ' THR . 2.8 t -74.43 -48.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 111.389 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.582 ' HE2' HD22 ' A' ' 87' ' ' LEU . 24.3 m-85 -64.14 -38.54 91.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.191 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.42 -10.69 12.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -73.73 -36.32 65.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.548 176.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.443 ' HE2' ' HE1' ' A' ' 132' ' ' MET . 49.3 m-85 -84.02 -36.63 22.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.113 -174.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.42 -178.4 31.44 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -88.19 95.39 10.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.585 0.692 . . . . 0.0 111.043 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -85.86 139.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.515 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.68 -13.04 7.55 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.053 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -153.79 146.45 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.996 0.398 . . . . 0.0 110.484 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 88' ' ' ARG . 14.3 m -141.5 139.9 31.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.079 0.466 . . . . 0.0 110.646 175.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -133.67 112.8 11.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.55 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.757 HG12 ' HB1' ' A' ' 115' ' ' ALA . 40.2 mt . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.846 0.355 . . . . 0.0 111.403 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.41 ' HE2' ' CE2' ' A' ' 116' ' ' PHE . 28.9 p90 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.757 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -148.74 162.21 40.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.844 0.354 . . . . 0.0 111.331 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.41 ' CE2' ' HE2' ' A' ' 114' ' ' PHE . 57.2 m-85 -124.05 140.22 53.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.088 175.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.3 m -129.79 137.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.217 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -118.75 117.18 28.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.993 0.425 . . . . 0.0 111.554 -172.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.75 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 28.7 m-85 -101.83 168.43 9.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.929 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -62.55 -66.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.722 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.529 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 5.6 m-20 -119.28 -179.21 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.375 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -69.76 -28.3 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.529 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 27.4 ptt85 -57.61 -37.54 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.75 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 22.4 m-20 -75.03 -35.13 61.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.337 0.589 . . . . 0.0 109.974 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.578 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -74.56 -36.82 63.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.099 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.509 ' O ' ' HE3' ' A' ' 129' ' ' MET . 51.4 mm-40 -58.46 -54.3 48.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.28 -36.03 70.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.138 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.444 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.2 -53.13 6.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.428 -172.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.635 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.78 -34.99 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.638 0.256 . . . . 0.0 110.617 -176.28 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.87 -41.95 86.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.198 0.523 . . . . 0.0 110.167 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.92 -46.03 46.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.217 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.662 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 34.1 tpp -80.35 -16.9 53.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.579 -173.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.7 89.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.542 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 110.07 15.84 11.26 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.43 -171.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.671 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -99.3 128.47 45.43 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.1 t -93.02 103.78 15.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.873 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -84.12 -22.62 31.02 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.673 ' N ' HD13 ' A' ' 137' ' ' LEU . 34.1 t70 172.7 98.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.188 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.62 7.87 36.72 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.666 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 13.7 tpp180 -157.34 134.31 10.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.663 0.232 . . . . 0.0 110.916 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.671 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -88.06 115.77 25.77 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.379 0.609 . . . . 0.0 110.111 167.473 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.0 mm? -63.51 153.93 34.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.454 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.516 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 72.3 ttt180 -103.38 110.4 22.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.574 HG21 ' CG ' ' A' ' 132' ' ' MET . 33.6 t -123.77 111.79 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.161 0.505 . . . . 0.0 110.681 -172.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -130.6 177.06 7.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.484 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.7 mmt -69.1 138.69 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.47 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.932 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.101 0.477 . . . . 0.0 111.549 -178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 tpp . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.89 0.376 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -77.65 110.07 12.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.889 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 17' ' ' THR . 32.3 m-85 -106.91 136.21 47.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.865 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.661 ' HB3' HG22 ' A' ' 51' ' ' THR . 30.5 ttmt -108.84 143.08 38.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.904 0.383 . . . . 0.0 111.234 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 64.2 tp -109.0 118.92 38.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.066 173.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 15' ' ' GLU . 47.8 mm -91.26 108.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.443 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.722 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.7 mt -85.84 101.1 12.53 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.48 45.84 1.04 Allowed 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.447 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -86.84 -164.94 40.6 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 114.931 -1.031 . . . . 0.0 113.533 -170.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -73.14 -64.39 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -109.88 16.96 21.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.238 0.542 . . . . 0.0 110.566 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD21 HD13 ' A' ' 7' ' ' LEU . 54.9 tp -137.98 117.35 12.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.789 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 21.3 ttpp -136.66 92.16 2.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.722 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.74 179.88 26.14 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.035 -175.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' A' ' 6' ' ' ILE . 52.5 mt-10 -131.35 139.31 49.49 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -150.92 150.12 30.46 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 4' ' ' LYS . 62.9 p -125.83 156.57 39.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.813 0.34 . . . . 0.0 110.824 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 t -143.68 152.27 41.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.381 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -80.48 90.41 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.242 0.544 . . . . 0.0 110.19 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 135.63 43.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.915 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 m -77.55 -24.08 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.876 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -152.59 158.99 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.18 73.61 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.235 0.334 . . . . 0.0 111.382 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.75 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.6 m -73.93 -41.06 62.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.919 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.04 80.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.244 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.5 pt-20 -60.97 -36.61 79.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.768 -176.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.59 -42.68 99.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.988 0.423 . . . . 0.0 111.016 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.62 -42.01 83.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.271 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.5 m-30 -64.07 -36.12 82.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.229 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.5 mttt -71.54 -35.02 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.207 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.0 -43.5 95.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.082 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -68.88 -45.21 71.56 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.76 94.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.228 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -64.45 -35.78 82.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.78 -42.24 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.987 0.423 . . . . 0.0 110.62 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' CB ' HD22 ' A' ' 12' ' ' LEU . 27.7 m-80 -78.49 -16.16 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.295 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.64 35.72 15.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.958 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' HA3' ' A' ' 9' ' ' GLY . 3.5 p -114.61 110.75 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.594 0.711 . . . . 0.0 110.867 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -120.67 96.6 5.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.192 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.499 ' HA3' ' HB2' ' A' ' 56' ' ' GLU . . . -123.86 -168.83 13.04 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.341 -176.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 36.0 tt0 -66.89 114.12 5.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 58.9 m95 -78.99 106.58 11.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 111.182 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.44 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 12.2 p -115.72 149.6 38.17 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.395 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -136.0 123.8 22.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.0 110.293 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 8.6 m-20 -89.44 117.91 28.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.952 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.09 150.38 48.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.997 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.59 -42.1 0.46 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.932 0.893 . . . . 0.0 112.224 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 p -85.54 -15.28 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.602 0.239 . . . . 0.0 111.384 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.84 31.86 11.3 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.416 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 4' ' ' LYS . 25.4 p -107.98 123.87 49.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -94.1 146.44 23.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.44 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 70.9 m -137.11 125.98 24.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.565 0.221 . . . . 0.0 110.785 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.05 104.77 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.174 0.512 . . . . 0.0 110.123 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 41.1 m -88.78 101.37 13.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB2' ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.593 ' HB ' ' HB2' ' A' ' 125' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 121.495 0.664 . . . . 0.0 112.157 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -103.26 135.61 44.57 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.44 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.934 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -100.28 144.41 29.33 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.434 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 1.0 OUTLIER -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 176.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 0.7 OUTLIER -104.36 131.14 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.91 175.01 9.96 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 18.3 m-80 60.45 26.1 15.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 109.276 -168.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 HG21 ' A' ' 82' ' ' THR . 24.2 tp -69.49 149.05 48.69 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.971 -172.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 33.6 p -88.96 147.62 24.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.42 30.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -173.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -135.31 16.67 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 109.914 173.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.557 HG21 HD11 ' A' ' 78' ' ' LEU . 34.1 m -86.68 110.5 19.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.289 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.734 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.3 p -86.2 154.43 57.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.706 ' HA ' HD12 ' A' ' 102' ' ' ILE . 6.3 Cg_endo -51.35 -43.84 46.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.868 2.379 . . . . 0.0 112.812 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.31 -28.94 68.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.49 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.734 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -54.86 -57.33 12.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.23 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 ' HE1' ' A' ' 91' ' ' PHE . 14.2 mt -69.58 -31.81 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -176.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -55.23 -55.04 35.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.164 174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.83 -41.29 97.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.123 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 86' ' ' THR . 5.2 t -73.97 -49.06 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.755 -176.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 28.8 m-85 -70.79 -31.3 68.02 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.6 -5.84 13.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.315 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.41 -47.33 86.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.114 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.403 ' HB3' ' OD2' ' A' ' 127' ' ' ASP . 79.4 m-85 -84.57 -53.27 5.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.13 -174.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.24 -174.17 13.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 0.0 112.33 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -89.17 95.35 10.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.403 0.62 . . . . 0.0 110.948 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.6 p -88.37 126.32 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.126 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.65 -45.29 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.012 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -159.18 174.26 15.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.56 171.37 17.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.271 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.668 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 31.3 t80 -131.61 82.01 2.01 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.322 0.582 . . . . 0.0 110.224 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 84' ' ' PRO . 21.4 mt . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 40.9 p90 . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 120.797 0.332 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.617 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -152.85 162.76 40.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.688 175.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.668 ' HB2' ' HB3' ' A' ' 101' ' ' TYR . 92.2 m-85 -130.28 155.33 46.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.934 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.9 m -134.93 139.92 46.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 118' ' ' ARG . 24.6 ttt180 -111.47 110.32 20.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.76 0.314 . . . . 0.0 111.757 -172.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.797 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 34.3 m-85 -103.12 164.2 11.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -67.81 -69.42 0.32 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.583 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.601 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 15.1 t70 -115.21 167.96 10.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.975 -174.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.752 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 60.8 tttp -56.28 -32.07 64.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.601 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 6.7 ptm180 -54.15 -42.47 69.61 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.198 0.523 . . . . 0.0 111.239 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.797 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 18.9 m-20 -79.61 -36.04 38.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.377 0.608 . . . . 0.0 109.978 -175.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.593 ' HB2' ' HB ' ' A' ' 71' ' ' THR . . . -74.26 -40.16 62.52 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.896 -175.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.752 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 1.7 mm-40 -76.37 -36.16 58.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.448 -175.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 94' ' ' TYR . 2.3 t70 -59.4 -39.36 83.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.771 0.796 . . . . 0.0 109.312 176.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.28 9.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.353 -1.294 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.728 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.76 -42.5 84.16 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 111.013 -177.269 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.511 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 26.6 t70 -66.28 -42.62 88.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.18 62.16 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.238 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.591 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 26.0 tpp -86.28 -14.8 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.278 -174.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.19 87.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 171.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.67 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 114.96 26.43 3.55 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.186 -170.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.97 134.95 53.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.402 0.281 . . . . 0.0 110.954 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 16.0 t -97.99 105.72 17.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.111 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.572 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -87.82 -8.46 55.89 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.221 179.078 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.495 ' N ' HD13 ' A' ' 137' ' ' LEU . 3.6 t70 -159.58 -76.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.17 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.41 24.89 1.86 Allowed Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.597 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 12.5 tpp180 -147.05 130.93 17.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.844 -0.678 . . . . 0.0 110.084 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.673 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -76.67 106.32 8.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 167.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.6 mm? -56.47 146.89 23.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 74.5 ttt180 -95.94 107.78 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 32.6 t -118.15 113.1 41.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.449 0.642 . . . . 0.0 110.63 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.37 170.51 13.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.19 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.2 tpp -72.46 118.83 15.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-O 121.369 0.604 . . . . 0.0 110.964 -176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.658 0.266 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.514 HE21 ' CB ' ' A' ' 17' ' ' THR . 41.8 tp60 -83.25 109.76 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' THR . 5.4 m-85 -99.31 131.53 45.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.622 -177.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HB3' HG22 ' A' ' 51' ' ' THR . 17.1 ttmt -105.48 134.28 48.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.186 0.517 . . . . 0.0 111.557 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 30' ' ' PHE . 62.1 tp -102.43 123.92 47.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.028 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.459 HD13 ' HG3' ' A' ' 15' ' ' GLU . 46.0 mm -102.95 106.69 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.547 174.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.651 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.0 mp -90.85 104.46 17.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.008 0.433 . . . . 0.0 109.926 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.636 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.4 t-20 -94.84 43.13 1.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.103 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.808 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -71.97 152.43 48.7 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.719 -175.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -75.63 -28.95 59.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -96.41 -39.34 9.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.287 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.56 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 3.0 tm? -133.8 107.93 8.18 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 111.183 -175.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 47.1 mtmt -93.68 125.08 38.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 168.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.42 164.5 29.03 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.938 -1.125 . . . . 0.0 113.147 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HE2' ' A' ' 4' ' ' LYS . 30.7 tt0 -147.92 122.94 10.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -161.35 166.11 27.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.541 0.21 . . . . 0.0 110.644 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 4' ' ' LYS . 55.1 p -131.25 161.09 33.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.278 0.561 . . . . 0.0 111.755 -176.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -142.24 147.37 36.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.766 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.47 94.69 7.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -99.07 128.76 45.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.386 -172.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.03 -26.44 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.357 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -146.69 155.1 42.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.202 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.01 74.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -69.31 -33.64 73.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.432 . . . . 0.0 110.407 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 m -67.84 -39.4 83.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.778 174.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.46 -52.6 57.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.127 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.82 -34.61 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.264 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -60.44 -46.06 91.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 25' ' ' THR . 32.4 t -71.23 -38.13 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.21 0.529 . . . . 0.0 110.356 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.67 -30.31 71.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.403 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.3 mttt -74.26 -23.92 59.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -70.06 -37.3 75.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 0.0 109.808 174.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.415 ' HD1' HD21 ' A' ' 7' ' ' LEU . 27.5 t80 -73.43 -45.94 51.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.545 176.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.18 -53.49 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.15 -34.45 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.489 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.97 -40.64 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 110.771 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.56 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 42.6 m-80 -87.16 -11.38 50.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.339 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 -6.05 74.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.948 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG23 ' HG3' ' A' ' 56' ' ' GLU . 2.0 p -95.82 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.222 0.534 . . . . 0.0 111.647 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.4 91.86 3.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.9 -151.7 19.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.841 -173.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.53 107.31 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.62 -0.29 . . . . 0.0 110.295 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -78.16 105.55 9.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.743 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 47.6 p -112.34 149.31 32.61 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -132.04 128.32 38.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -89.45 124.09 34.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.556 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -85.68 -8.91 57.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.09 0.472 . . . . 0.0 110.238 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.1 -60.28 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -92.57 -6.45 49.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.265 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.82 39.17 20.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.415 0.626 . . . . 0.0 110.459 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 4' ' ' LYS . 10.6 p -104.84 131.85 51.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.898 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HD1' ' HE2' ' A' ' 30' ' ' PHE . 45.2 m-85 -95.0 145.17 25.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 28.1 m -134.39 126.43 29.56 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.651 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -103.08 103.15 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 170.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.636 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 57.6 m -85.14 96.01 9.32 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.808 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 3.5 tm-20 . . . . . 0 C--N 1.319 -0.739 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 121.266 0.555 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 m -87.73 150.56 23.52 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.351 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.882 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -116.3 141.66 47.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.874 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.33 113.21 25.75 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.665 HG23 HD11 ' A' ' 78' ' ' LEU . 2.9 m -107.53 123.35 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 172.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -117.39 165.96 12.89 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.787 -170.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.417 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.9 OUTLIER 64.31 43.52 4.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.691 177.052 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 HG23 ' A' ' 75' ' ' VAL . 7.2 mp -75.71 166.02 24.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 111.623 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 81' ' ' ARG . 29.9 p -94.57 11.37 31.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.177 -171.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 72.43 -37.27 0.38 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.428 0.691 . . . . 0.0 111.784 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 79' ' ' THR . 11.4 ptm180 -71.07 -15.94 62.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.594 ' HB ' HD23 ' A' ' 78' ' ' LEU . 23.8 m -67.3 113.78 5.49 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.205 176.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.578 ' O ' ' HB ' ' A' ' 86' ' ' THR . 35.0 m -93.67 153.38 41.17 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.39 -175.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.12 11.74 0.15 Allowed 'Trans proline' 0 N--CA 1.48 0.705 0 C-N-CA 123.572 2.848 . . . . 0.0 114.77 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.43 -27.3 8.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 168.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.1 m -52.0 -57.1 10.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.277 175.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 102' ' ' ILE . 16.7 mt -66.12 -31.59 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.419 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.539 ' HG2' HG13 ' A' ' 100' ' ' VAL . 49.2 mtm180 -59.45 -53.04 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -56.82 -45.23 82.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.228 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 86' ' ' THR . 2.3 t -74.79 -51.05 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.82 0.343 . . . . 0.0 111.695 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.654 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 31.4 m-85 -67.94 -33.38 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -173.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 9.1 pt-20 -59.88 -18.88 47.91 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.743 0.306 . . . . 0.0 111.776 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -37.95 86.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.242 0.544 . . . . 0.0 110.445 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -85.22 -34.59 21.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.768 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.452 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -162.54 179.45 37.83 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -81.66 97.52 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.486 0.643 . . . . 0.0 110.879 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.6 p -87.37 131.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 175.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.94 -44.58 5.97 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.486 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -162.78 146.17 11.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.539 HG13 ' HG2' ' A' ' 88' ' ' ARG . 5.4 m -123.27 144.99 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -119.88 112.12 18.81 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.733 HD11 ' HG ' ' A' ' 87' ' ' LEU . 37.4 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.941 0.4 . . . . 0.0 110.219 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' HE2' ' HE2' ' A' ' 116' ' ' PHE . 28.6 p90 . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.505 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -160.82 167.25 27.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.205 0.526 . . . . 0.0 111.74 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.445 ' HE2' ' HE2' ' A' ' 114' ' ' PHE . 97.2 m-85 -130.5 145.68 51.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.882 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -126.88 127.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -108.61 109.83 21.14 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.051 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.515 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 39.5 m-85 -94.15 168.77 10.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.542 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -64.69 -49.98 68.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.767 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.751 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.7 t70 -141.16 169.31 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.164 -174.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -61.82 -27.49 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.43 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.751 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.8 ptp180 -56.82 -41.49 77.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.944 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.0 m-20 -79.78 -33.16 40.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.41 0.624 . . . . 0.0 110.133 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.412 ' CB ' HD21 ' A' ' 73' ' ' LEU . . . -72.82 -33.4 66.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.358 -173.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.594 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.77 -54.61 43.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.243 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -61.99 -27.31 68.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.414 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 91' ' ' PHE . . . -80.48 -53.01 6.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.67 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.594 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -66.94 -29.81 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 111.078 -175.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.413 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 18.5 t70 -72.64 -43.79 62.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.491 . . . . 0.0 109.941 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.78 -49.66 24.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.135 -174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.78 ' HB3' HG21 ' A' ' 144' ' ' VAL . 31.1 tpp -79.14 -11.8 59.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.807 -172.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.9 95.75 2.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.583 ' HA2' ' OE1' ' A' ' 141' ' ' GLU . . . 100.63 24.92 8.95 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.352 -171.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.684 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -116.57 131.89 56.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 122.709 0.404 . . . . 0.0 111.2 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.679 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.4 t -86.99 114.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.24 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.46 -18.62 35.31 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.354 178.166 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.535 ' HB2' HD22 ' A' ' 137' ' ' LEU . 9.8 t70 -160.6 -73.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.801 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.18 20.94 3.16 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.679 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.4 tpp180 -146.53 130.75 17.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.832 -0.684 . . . . 0.0 110.191 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.684 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.2 OUTLIER -76.8 120.47 22.0 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 164.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -69.03 154.42 42.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.029 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.54 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -106.37 102.65 12.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 171.197 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.78 HG21 ' HB3' ' A' ' 132' ' ' MET . 11.2 t -111.52 113.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.486 . . . . 0.0 111.071 -171.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -129.54 162.71 27.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.125 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.515 ' SD ' ' HG2' ' A' ' 129' ' ' MET . 0.1 OUTLIER -58.68 125.57 23.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 111.044 178.509 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.016 177.514 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.967 0.413 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.583 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 49.1 tt0 -90.07 97.17 11.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.969 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 17' ' ' THR . 18.4 m-85 -84.26 135.53 34.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.792 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.618 ' HB3' HG22 ' A' ' 51' ' ' THR . 3.1 tppp? -91.6 126.45 36.69 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.184 174.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 52' ' ' PHE . 57.6 tp -97.55 121.89 39.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.483 172.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mm -94.39 104.07 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.116 0.484 . . . . 0.0 109.704 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.899 ' HB3' HD13 ' A' ' 12' ' ' LEU . 14.5 mt -83.07 99.46 9.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.298 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.598 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 40.9 t30 -109.09 40.86 1.74 Allowed 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.802 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -83.23 173.58 51.93 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.351 -169.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 18.7 pttm -81.43 -28.49 34.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -41.75 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -136.92 165.36 26.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.976 -176.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 81.6 tttt -148.89 94.97 2.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 170.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.654 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.95 -175.6 22.29 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.34 -174.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE ' ' A' ' 4' ' ' LYS . 44.2 mt-10 -130.95 143.06 50.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -152.44 157.53 41.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.764 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 39.9 p -133.12 152.01 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 111.314 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.426 HG22 ' CE1' ' A' ' 30' ' ' PHE . 9.5 t -136.53 139.71 42.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.432 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 96.17 3.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.39 141.01 39.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.319 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -79.03 -23.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.037 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -149.22 157.93 43.76 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.41 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.6 -29.74 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -75.13 -41.1 59.12 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.758 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.97 87.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.316 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -62.85 -28.93 70.36 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.791 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -67.18 -46.71 73.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.49 -37.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.166 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.8 m-30 -66.34 -35.68 80.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.116 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -68.47 -37.78 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.145 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.5 -48.27 80.31 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.35 -48.35 82.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.31 82.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.44 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -67.76 -36.65 80.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.16 -40.89 82.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.937 0.399 . . . . 0.0 110.673 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -73.62 -38.19 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.519 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.3 23.55 4.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.48 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 12' ' ' LEU . 2.4 p -105.49 124.26 60.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.1 0.476 . . . . 0.0 110.952 177.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -119.83 85.26 2.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.62 171.52 18.35 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.214 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.52 108.74 3.92 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -68.53 112.19 5.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 p -130.34 119.25 22.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.259 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HE2' ' A' ' 3' ' ' TYR . 60.1 t80 -99.75 130.36 45.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 0.0 110.603 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -108.94 117.29 33.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.66 -32.75 66.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.248 -177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 -47.69 79.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -103.9 -2.29 26.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.751 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 61.28 38.04 16.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.618 HG22 ' HB3' ' A' ' 4' ' ' LYS . 40.7 p -110.77 142.56 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.116 0.484 . . . . 0.0 111.984 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' HD12 ' A' ' 5' ' ' LEU . 44.7 m-85 -103.19 112.98 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -102.63 121.41 42.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.546 0.212 . . . . 0.0 111.04 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.01 103.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.933 0.397 . . . . 0.0 109.961 170.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.598 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.6 m -90.91 113.71 25.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.802 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 37.3 tt0 -131.59 98.04 4.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.879 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.69 -39.79 5.47 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.53 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.8 t 57.9 84.47 0.1 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.474 0.654 . . . . 0.0 111.091 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.34 -32.62 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.074 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.9 m80 66.29 -170.98 0.19 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.286 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -146.11 27.85 1.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.156 0.503 . . . . 0.0 110.447 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -95.6 -30.24 13.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.626 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -96.74 105.17 17.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.63 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -173.14 100.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 mmt -126.72 13.83 7.48 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.81 155.64 40.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.967 -1.47 . . . . 0.0 110.216 -176.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 68' ' ' GLU . 47.2 t -126.22 -72.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.395 -177.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' HG2' HG12 ' A' ' 67' ' ' VAL . 45.2 mm-40 -108.29 146.86 32.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.856 0.36 . . . . 0.0 111.424 -173.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.41 -153.95 8.62 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.029 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.428 ' HA ' ' O ' ' A' ' 119' ' ' PHE . 33.8 mtm 53.6 34.79 19.42 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.927 0.491 . . . . 0.0 111.784 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 p -70.04 133.22 46.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.28 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -92.87 148.67 21.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.01 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -110.71 149.76 30.02 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.0 tppp? -111.21 117.0 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.043 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.584 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -106.75 127.32 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -126.88 174.94 8.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.591 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 64.29 17.3 10.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -171.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 115' ' ' ALA . 28.8 tp -63.02 133.42 54.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.385 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.466 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 2.2 p -71.54 141.3 50.1 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.422 176.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -74.82 -5.55 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 0.0 111.554 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HG2' ' HB ' ' A' ' 79' ' ' THR . 15.7 ptm180 -88.33 -0.47 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.95 0.405 . . . . 0.0 110.47 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.569 HG21 HD11 ' A' ' 78' ' ' LEU . 13.3 m -76.79 131.56 38.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.823 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.745 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.2 m -102.12 149.77 36.88 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.757 ' HA ' HD12 ' A' ' 102' ' ' ILE . 73.1 Cg_exo -49.08 -46.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.897 2.398 . . . . 0.0 113.019 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.26 -33.72 59.17 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.287 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.745 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.4 m -57.88 -57.13 14.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.002 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 91' ' ' PHE . 32.9 mt -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.577 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.431 ' HB2' HG21 ' A' ' 100' ' ' VAL . 63.9 ttt180 -58.77 -43.67 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.42 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -64.4 -37.81 88.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.217 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 86' ' ' THR . 11.4 t -74.44 -54.71 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 37.7 m-85 -61.6 -32.94 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.429 ' HA ' HG12 ' A' ' 97' ' ' VAL . 10.3 pt-20 -63.55 -13.16 38.7 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.04 -33.02 45.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.195 0.522 . . . . 0.0 110.443 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.38 -32.51 24.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.195 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -164.28 172.36 40.05 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -76.45 98.78 4.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.8 p -90.48 140.78 15.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.187 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.51 -50.18 3.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.19 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -157.72 165.8 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 88' ' ' ARG . 21.4 m -131.06 143.08 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.141 0.496 . . . . 0.0 110.803 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -121.61 93.79 4.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.997 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 84' ' ' PRO . 35.4 mt -97.73 101.85 11.67 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -62.43 140.66 83.41 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 -173.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -110.51 76.82 1.0 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.132 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.78 118.64 24.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.74 5.04 38.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.97 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -89.33 -40.46 12.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.361 0.601 . . . . 0.0 109.553 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.501 ' HB ' ' HB2' ' A' ' 111' ' ' SER . 15.1 p -119.63 88.89 3.02 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.741 173.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -69.6 -15.79 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.32 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -154.26 86.53 1.16 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.319 0.581 . . . . 0.0 109.926 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.501 ' HB2' ' HB ' ' A' ' 108' ' ' THR . 52.5 m -154.72 -72.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.958 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -104.96 120.87 42.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.889 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -115.33 90.58 0.53 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.588 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -138.97 156.26 47.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.808 0.337 . . . . 0.0 110.799 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . -148.3 160.55 42.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.987 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -121.3 145.3 48.01 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 1.01 HG22 ' HB2' ' A' ' 73' ' ' LEU . 3.0 m -132.18 131.73 61.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -108.58 117.34 33.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.929 0.395 . . . . 0.0 111.111 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.578 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 3.8 m-85 -99.96 168.34 9.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.474 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -56.7 -60.65 3.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.276 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.2 t70 -143.97 169.87 16.99 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 78.3 tttt -58.59 -33.38 69.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 0.2 OUTLIER -54.42 -37.36 65.02 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.915 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.541 ' CB ' ' HD2' ' A' ' 119' ' ' PHE . 10.2 m-20 -79.42 -34.32 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.312 0.577 . . . . 0.0 110.037 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -73.52 -31.71 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.323 -175.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.8 mt-10 -58.75 -49.89 75.96 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.388 0.43 . . . . 0.0 110.584 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -62.45 -37.79 87.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.09 -53.11 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -174.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.584 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -62.14 -38.42 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 -176.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.584 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 24.1 t70 -71.33 -41.83 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.744 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.85 -52.67 12.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.686 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 59.7 mtp -83.79 1.04 44.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.592 -167.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.42 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 18.5 t70 -71.33 86.74 0.82 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 165.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.705 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.03 23.92 4.08 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.496 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -99.58 131.19 45.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.168 0.187 . . . . 0.0 110.5 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.65 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.0 t -95.84 113.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.696 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.635 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -85.44 -15.94 41.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 110.283 178.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.488 ' N ' HD13 ' A' ' 137' ' ' LEU . 19.3 t70 -164.95 -70.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.95 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.0 35.47 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.65 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 2.3 tpm_? -156.48 127.65 6.97 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.012 -0.594 . . . . 0.0 110.184 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.705 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 29.3 mt-10 -78.69 113.18 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 168.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.4 mm? -63.98 144.84 56.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 110.995 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.42 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 18.9 tpp180 -92.01 86.58 5.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 30.5 t -96.18 117.92 41.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.12 164.9 21.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 51.6 ttm -79.86 117.63 20.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -103.0 86.58 2.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.254 0.55 . . . . 0.0 110.363 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -92.26 31.48 1.29 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.89 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.421 ' HE2' ' HB3' ' A' ' 152' ' ' PRO . 52.7 p90 -61.37 137.68 58.24 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.626 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -94.7 120.08 6.31 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.34 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 151' ' ' ARG . 28.5 mtp180 67.55 105.17 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.238 0 C-N-CA 122.733 0.413 . . . . 0.0 111.953 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.421 ' HB3' ' HE2' ' A' ' 149' ' ' TYR . 55.8 Cg_endo -74.22 111.68 3.37 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.168 1.912 . . . . 0.0 111.205 171.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.82 -33.61 20.17 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.466 2.11 . . . . 0.0 111.402 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.31 25.26 14.72 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.235 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 50.9 m -85.78 12.88 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.327 0.584 . . . . 0.0 110.936 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -82.81 38.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.065 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -97.84 106.4 18.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.825 -0.607 . . . . 0.0 110.545 -178.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mmm . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -83.03 100.34 10.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.607 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.51 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 27.7 m-85 -93.54 137.47 32.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.901 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 51' ' ' THR . 33.2 ttmt -110.46 138.18 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.202 0.525 . . . . 0.0 111.547 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 30' ' ' PHE . 59.2 tp -99.24 121.69 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.568 174.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.3 mm -95.48 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.412 0.625 . . . . 0.0 109.515 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.677 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 11.1 mt -81.02 118.31 22.38 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.107 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 15.5 t-20 -128.53 58.88 1.55 Allowed 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 177.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.68 -153.51 29.75 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.506 -170.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.681 ' HG3' ' HE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -65.5 -63.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.223 0.535 . . . . 0.0 110.038 -177.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.7 p -114.28 -37.69 4.31 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.45 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.702 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.53 128.95 34.0 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 122.365 1.079 . . . . 0.0 111.128 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.7 mtpm? -150.79 91.4 1.72 Allowed 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.619 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.677 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.56 -174.07 19.92 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.888 -174.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 13.7 mp0 -123.94 146.25 48.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.738 0.304 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -155.94 154.69 31.55 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 4' ' ' LYS . 66.5 p -126.69 165.9 18.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 111.536 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 t -146.25 151.99 38.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.828 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.53 99.53 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.13 134.27 54.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.997 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.93 -19.62 16.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.726 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -158.99 172.12 18.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.944 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -62.67 -46.29 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.034 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.13 -36.58 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 111.115 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -66.1 -42.84 88.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.18 0.514 . . . . 0.0 110.476 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.16 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.661 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.1 pt-20 -60.61 -37.52 81.67 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.085 -174.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.37 -39.11 89.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 111.365 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.8 t -72.87 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.156 0.503 . . . . 0.0 110.121 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.63 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.7 m-30 -65.5 -31.54 72.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.248 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 66.4 mttm -68.56 -33.71 74.57 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.95 177.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -44.33 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.91 -52.7 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.906 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.22 -46.66 89.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.535 -177.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.44 -36.88 82.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.005 0.431 . . . . 0.0 110.92 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.09 -26.98 63.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.541 . . . . 0.0 110.568 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.444 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.9 OUTLIER -85.44 -37.59 19.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 176.194 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.09 -0.27 28.41 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.002 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.522 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 1.7 p -86.3 109.86 19.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.357 0.599 . . . . 0.0 111.434 -177.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -110.23 101.58 10.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.39 176.77 16.25 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.398 -0.905 . . . . 0.0 111.83 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.53 107.86 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 73.4 m95 -67.98 103.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.911 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.53 116.19 22.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.314 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' OH ' ' HD3' ' A' ' 50' ' ' LYS . 34.9 t80 -98.78 119.91 38.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -95.1 120.44 35.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 25.7 t0 -76.75 167.18 22.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.323 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 47' ' ' ASP . . . 76.96 -43.0 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.035 0.934 . . . . 0.0 111.147 -176.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.7 p -89.67 -16.62 30.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.72 0.295 . . . . 0.0 110.568 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.2 mmtt 60.37 42.69 14.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 4' ' ' LYS . 27.5 p -113.54 124.39 52.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.5 m-85 -95.91 112.09 23.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 40.6 m -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.41 102.78 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 170.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.484 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 7.6 m -92.72 100.63 13.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.422 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.01 102.99 11.33 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.58 29.57 3.58 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.767 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -79.55 -31.93 42.08 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.681 ' HE1' ' HG3' ' A' ' 10' ' ' LYS . 27.9 p-80 -132.78 145.86 51.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.551 175.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -74.68 139.13 43.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -91.33 -176.03 4.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.895 -169.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -75.16 114.01 13.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.724 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -142.05 8.74 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -86.58 114.56 23.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.163 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.7 mmt -134.85 95.62 3.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.908 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -113.39 -1.1 14.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 109.95 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.74 132.06 70.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.43 0.633 . . . . 0.0 111.377 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -146.74 -39.02 0.21 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.827 175.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.81 160.9 14.73 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.915 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.501 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 36.9 mtm -89.95 146.61 24.26 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.682 HG21 ' HA ' ' A' ' 122' ' ' LYS . 7.1 p -90.44 166.66 13.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.335 0.588 . . . . 0.0 111.926 -174.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -140.83 131.37 25.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.699 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.051 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.7 mm? -105.32 152.27 23.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 1.3 tmmt? -128.23 109.4 11.44 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.079 0.466 . . . . 0.0 109.981 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 144' ' ' VAL . 0.8 OUTLIER -84.74 130.6 35.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.654 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -124.58 168.42 13.15 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.517 -174.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 30.5 m-80 62.62 31.13 16.94 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -169.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 82' ' ' THR . 39.6 tp -79.75 142.41 35.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.993 -174.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.3 p -86.39 141.98 28.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -80.67 59.25 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.717 0.77 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -147.56 16.0 1.13 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.502 -1.226 . . . . 0.0 107.864 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.455 HG23 HG21 ' A' ' 86' ' ' THR . 92.3 m -102.65 118.43 36.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.911 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.741 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.6 m -94.26 156.75 38.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.51 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.558 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.9 Cg_endo -50.2 -50.69 12.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.953 2.435 . . . . 0.0 112.796 177.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.2 -34.22 71.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.741 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -53.12 -56.58 15.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.719 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.556 HD22 ' HE2' ' A' ' 91' ' ' PHE . 22.2 mt -74.49 -36.14 63.26 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.035 -177.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -55.58 -50.34 70.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -54.96 -41.28 70.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.71 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 86' ' ' THR . 4.3 t -74.83 -55.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.0 111.321 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.556 ' HE2' HD22 ' A' ' 87' ' ' LEU . 35.4 m-85 -64.05 -36.06 82.78 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -171.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HA ' HG12 ' A' ' 97' ' ' VAL . 13.0 pt-20 -63.14 -12.67 29.19 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -72.82 -37.18 67.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.427 . . . . 0.0 110.392 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -83.45 -33.95 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.431 -173.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.22 179.93 34.48 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -83.73 98.17 9.53 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.6 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.4 p -91.72 121.7 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.765 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.18 -45.37 6.62 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.97 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -136.49 155.2 50.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.411 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.25 125.53 66.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.47 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 2.2 t80 -85.7 -60.02 2.14 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.124 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.735 HG12 ' HB1' ' A' ' 115' ' ' ALA . 10.6 mt 41.62 75.1 0.65 Allowed Pre-proline 0 N--CA 1.469 0.483 0 O-C-N 124.324 1.015 . . . . 0.0 110.254 -173.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.596 ' HB2' ' HG2' ' A' ' 151' ' ' ARG . 90.8 Cg_endo -84.89 164.12 11.82 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.951 2.434 . . . . 0.0 113.654 -170.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -128.81 -33.21 2.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.316 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.67 ' HA ' ' HA ' ' A' ' 153' ' ' PRO . 8.8 t70 -132.1 142.9 49.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.168 0.187 . . . . 0.0 110.651 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.713 ' HD3' ' HB2' ' A' ' 107' ' ' TYR . 3.5 tmt_? -155.86 -77.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.025 177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.713 ' HB2' ' HD3' ' A' ' 106' ' ' ARG . 25.3 m-85 -144.67 -77.37 0.21 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 152' ' ' PRO . 33.2 p -120.95 158.46 27.67 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -174.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.958 ' HA ' ' HB3' ' A' ' 152' ' ' PRO . 14.3 mmmm -75.83 78.94 2.75 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.214 0.531 . . . . 0.0 110.829 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -78.27 -29.66 48.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.107 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.864 ' H ' ' HG3' ' A' ' 152' ' ' PRO . 16.0 m -151.27 -159.38 1.02 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' A' ' 112' ' ' ARG . 22.2 mmt180 -109.71 -82.68 0.57 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.441 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -129.28 116.55 2.2 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.313 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.52 ' HZ ' ' HA ' ' A' ' 151' ' ' ARG . 19.2 p90 -154.22 169.32 23.91 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.735 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -141.19 144.15 34.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.799 0.333 . . . . 0.0 111.489 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 35.7 m-85 -98.84 142.23 30.62 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 1.051 HG22 ' HB2' ' A' ' 73' ' ' LEU . 2.8 m -128.32 133.49 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.852 175.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.526 0.203 . . . . 0.0 111.169 -170.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.813 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 15.6 m-85 -102.67 165.91 10.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 70' ' ' MET . 79.0 t60 -61.9 -67.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.276 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.544 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 1.2 t70 -129.71 -175.92 3.75 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.316 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.682 ' HA ' HG21 ' A' ' 71' ' ' THR . 75.8 tttt -68.85 -32.01 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.544 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 29.4 ptt180 -55.45 -36.48 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.813 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 8.7 m-20 -77.29 -37.53 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.133 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -73.28 -41.53 63.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.411 -174.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 50.8 mt-10 -67.21 -39.96 86.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.202 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.2 -43.65 78.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.719 0.771 . . . . 0.0 109.625 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.81 -52.71 7.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.519 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.756 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.04 -32.58 73.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.263 . . . . 0.0 111.194 -176.005 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.49 -37.91 80.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.202 0.525 . . . . 0.0 109.874 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.86 -56.21 5.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.792 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.508 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 65.7 mtp -84.9 0.27 51.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.48 -169.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -67.29 93.11 0.3 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.665 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 104.81 40.08 2.22 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.343 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.4 119.26 38.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.397 0.279 . . . . 0.0 110.774 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 41.3 t -87.23 118.36 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.147 0.975 . . . . 0.0 111.309 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.695 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -107.43 -22.85 12.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.524 -174.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.35 -66.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.668 0.747 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -162.71 28.09 0.25 Allowed Glycine 0 CA--C 1.498 -0.994 0 N-CA-C 107.091 -2.403 . . . . 0.0 107.091 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.616 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.3 tpp180 -151.63 128.83 11.18 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 112.35 -1.925 . . . . 0.0 108.895 -170.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.665 ' HB2' ' HA2' ' A' ' 134' ' ' GLY . 1.5 pm0 -84.39 111.84 19.81 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -56.49 143.57 34.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.165 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.6 tpp180 -90.42 82.98 5.86 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 172.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 60.6 t -84.42 109.76 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.244 0.545 . . . . 0.0 110.377 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.28 179.3 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.975 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.3 mmt -73.41 141.33 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -101.45 170.66 8.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.359 0.6 . . . . 0.0 112.542 -173.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . 0.553 ' HG3' ' H ' ' A' ' 149' ' ' TYR . 13.6 tpt180 -150.98 -162.46 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.553 ' H ' ' HG3' ' A' ' 148' ' ' ARG . 77.1 m-85 -101.24 93.43 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.235 0.54 . . . . 0.0 111.099 -175.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -170.41 134.14 3.04 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.737 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.893 ' HD2' ' HD2' ' A' ' 152' ' ' PRO . 18.6 tpt180 -163.04 125.95 1.73 Allowed Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.165 0.507 . . . . 0.0 110.586 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.958 ' HB3' ' HA ' ' A' ' 109' ' ' LYS . 15.9 Cg_exo -70.33 136.9 32.6 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.349 2.699 . . . . 0.0 112.35 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.67 ' HA ' ' HA ' ' A' ' 105' ' ' ASP . 3.0 Cg_exo -76.45 98.07 1.18 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.577 2.185 . . . . 0.0 111.169 172.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -103.76 23.68 12.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.811 0.815 . . . . 0.0 109.184 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 38.0 m -70.13 97.17 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.217 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 176.96 -173.81 0.11 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 -173.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -168.73 106.75 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.47 0.481 . . . . 0.0 110.056 167.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.768 -178.467 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.746 0.307 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -105.53 125.02 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.904 0.383 . . . . 0.0 110.076 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' THR . 27.7 m-85 -110.59 142.67 42.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.111 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.1 ttmt -112.98 127.52 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.067 0.46 . . . . 0.0 111.314 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 52' ' ' PHE . 43.1 tp -94.49 123.23 37.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 mm -98.84 104.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.716 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.6 mt -82.24 98.16 8.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 35.6 t-20 -100.69 57.73 0.91 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -92.4 -138.28 8.34 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.942 -173.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 49.2 mtpt -120.5 -59.41 1.77 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.336 0.589 . . . . 0.0 109.625 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.0 m -90.51 -28.79 18.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.417 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 37' ' ' ASN . 58.2 tp -109.41 116.96 32.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.114 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.22 97.44 3.6 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 173.02 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.716 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.89 170.37 29.98 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.915 -175.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 5.1 mp0 -122.53 126.67 48.28 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -134.41 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' HE3' ' A' ' 4' ' ' LYS . 42.8 p -128.25 154.35 45.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.021 0.438 . . . . 0.0 111.324 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -136.46 143.19 43.73 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -85.26 75.39 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.24 136.7 32.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.006 -173.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 m -68.6 -31.43 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.154 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.42 163.39 32.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.541 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.97 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.07 72.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.493 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.0 m -73.0 -36.0 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.058 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.04 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.238 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.7 pt-20 -61.27 -37.49 83.35 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -51.3 -48.39 62.33 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.987 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.6 t -76.4 -38.05 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.183 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 21.5 m-30 -61.59 -36.06 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 0.0 110.033 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -71.38 -37.61 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.12 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.06 -47.15 87.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.85 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -61.08 -50.09 74.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.44 -48.8 73.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -60.72 -38.95 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.87 -29.39 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.848 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HB3' HD22 ' A' ' 12' ' ' LEU . 19.8 m-80 -90.14 -9.82 46.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.54 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.7 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.598 -0.81 . . . . 0.0 114.008 172.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -101.65 115.27 43.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.32 0.581 . . . . 0.0 111.036 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -126.7 107.46 10.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.87 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.03 -164.32 11.19 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.705 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.06 107.18 8.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -76.67 116.05 16.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.493 HG21 ' CG ' ' A' ' 64' ' ' HIS . 13.2 p -126.92 125.79 42.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.165 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -99.15 122.98 43.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.004 0.43 . . . . 0.0 109.98 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.02 115.7 28.36 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.76 -52.55 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -45.13 86.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -89.56 -10.98 44.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.26 32.66 12.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.328 0.585 . . . . 0.0 109.935 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 ' HB3' ' A' ' 4' ' ' LYS . 19.5 p -110.0 148.67 31.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.709 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' O ' HD12 ' A' ' 5' ' ' LEU . 60.3 m-85 -109.18 111.79 23.6 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.0 m -102.1 118.17 36.33 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -98.3 105.66 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.641 0.734 . . . . 0.0 109.5 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 4.8 m -93.52 108.46 20.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.971 -169.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' OE1' ' HD2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -105.22 18.8 21.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 0.0 109.611 175.244 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.06 64.66 2.71 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.643 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 m -72.16 119.97 17.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.054 0.454 . . . . 0.0 111.256 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -164.32 -69.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.024 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -152.59 40.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.63 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -57.8 -64.41 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.065 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 68.22 -67.33 0.2 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.374 0.669 . . . . 0.0 112.047 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -134.2 166.4 22.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.07 -177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CG ' HG21 ' A' ' 44' ' ' THR . 57.5 t-80 -117.45 101.93 8.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.776 0.322 . . . . 0.0 111.268 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.8 ptp -122.29 4.53 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.296 0.57 . . . . 0.0 109.718 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -150.21 131.07 14.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.14 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 p -100.08 137.24 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 121.305 -0.158 . . . . 0.0 110.638 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 66.71 -75.52 0.06 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.923 0.764 . . . . 0.0 110.471 -175.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.19 54.16 2.64 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.068 176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -57.02 126.31 26.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.049 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 122' ' ' LYS . 14.0 p -102.96 149.24 24.73 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 19.7 m -115.8 138.88 50.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.6 mm? -115.14 138.84 50.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.777 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.58 109.46 22.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.958 173.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.83 124.12 53.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 7.3 t70 -135.3 170.85 15.3 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.502 -167.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.91 27.26 15.99 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.806 0.813 . . . . 0.0 109.118 -171.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 137' ' ' LEU . 54.6 tp -79.05 151.67 31.33 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.203 -173.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.2 p -83.44 168.99 16.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.536 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.574 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 11.4 t80 -96.25 8.35 44.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.288 0.566 . . . . 0.0 109.98 -177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -104.03 -3.02 25.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.18 0.514 . . . . 0.0 110.361 175.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.545 ' O ' ' HD3' ' A' ' 104' ' ' ARG . 95.1 m -73.26 122.55 22.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.346 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.768 ' O ' ' HB ' ' A' ' 86' ' ' THR . 37.9 t -91.17 151.65 43.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.463 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.607 ' HA ' HD12 ' A' ' 102' ' ' ILE . 5.4 Cg_endo -51.13 -44.2 43.97 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.673 2.249 . . . . 0.0 111.903 173.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.87 -31.16 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.659 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.768 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -59.11 -59.26 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.65 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.734 ' HG ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mp -61.73 -40.12 93.96 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.525 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -57.05 -45.95 82.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.908 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -68.72 -44.63 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.365 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 86' ' ' THR . 4.1 t -73.36 -44.72 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.857 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.734 ' HE1' ' HG ' ' A' ' 87' ' ' LEU . 67.2 m-85 -73.19 -31.29 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.0 pt-20 -64.64 -13.74 55.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.737 0.303 . . . . 0.0 111.755 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -66.07 -46.26 78.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.548 . . . . 0.0 110.268 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.85 -37.89 20.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.499 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.673 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -144.78 166.63 27.36 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.769 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -78.39 90.82 4.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.977 0.418 . . . . 0.0 110.395 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.3 p -86.15 133.44 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.117 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.7 -48.38 5.26 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.142 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -157.66 170.52 22.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.15 156.33 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.428 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' A' ' 103' ' ' PRO . 65.7 t80 -133.95 110.53 9.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.919 0.39 . . . . 0.0 110.04 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 84' ' ' PRO . 24.1 mt -115.53 104.11 53.45 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 15.6 Cg_exo -72.76 34.7 0.32 Allowed 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 124.104 3.202 . . . . 0.0 112.532 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.574 ' HD2' ' O ' ' A' ' 80' ' ' TYR . 33.1 ttp180 -76.89 65.07 2.52 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.548 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -158.5 90.75 1.04 Allowed 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.934 -0.307 . . . . 0.0 111.592 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.464 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER 71.14 -55.34 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.564 171.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -61.35 -32.2 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.562 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.4 p -84.08 -72.28 0.47 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 50.7 tttm 64.52 -79.72 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.886 0.741 . . . . 0.0 111.763 175.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -161.68 83.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.3 t -171.46 -64.71 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.171 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -127.13 104.37 7.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.677 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -96.52 87.61 0.96 Allowed Glycine 0 N--CA 1.442 -0.916 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.46 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 44.8 p90 -130.45 145.79 51.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.448 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -140.67 167.1 22.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.899 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -131.29 149.85 52.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.34 0.59 . . . . 0.0 111.461 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.699 HG22 ' HB2' ' A' ' 73' ' ' LEU . 11.5 m -131.35 139.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.455 176.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 118' ' ' ARG . 31.5 ttt180 -111.18 108.95 18.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.485 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 49.0 m-85 -92.27 168.73 11.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.076 0.465 . . . . 0.0 111.513 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.511 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 5.7 t60 -74.1 -56.71 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.861 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.656 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 19.9 t70 -129.91 174.53 9.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.604 ' HA ' HG21 ' A' ' 71' ' ' THR . 82.3 tttt -65.98 -29.4 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.656 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 3.4 ptm180 -53.17 -38.95 63.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.673 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.1 m-20 -75.74 -37.76 59.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.13 -177.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.403 ' HB2' ' OG1' ' A' ' 71' ' ' THR . . . -66.83 -43.87 82.61 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.82 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.513 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 41.9 mt-10 -68.95 -32.03 71.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.27 -44.88 82.34 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.644 0.735 . . . . 0.0 109.45 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.55 -48.11 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.36 -172.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.934 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -58.13 -37.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 -176.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.4 ' HB2' ' CE ' ' A' ' 129' ' ' MET . 13.1 t70 -76.06 -45.36 34.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.3 -44.0 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -171.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.873 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 31.1 ttm -86.12 -6.42 59.01 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -168.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.05 80.33 0.94 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.547 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 129.59 10.44 2.94 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.086 -170.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.873 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -96.85 139.94 32.15 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 122.489 0.316 . . . . 0.0 111.022 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.63 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.4 t -96.5 119.36 44.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.255 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.759 ' HB3' HD21 ' A' ' 142' ' ' LEU . 1.4 pt? -107.3 -31.2 8.3 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.809 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.412 ' H ' HD23 ' A' ' 137' ' ' LEU . 43.1 m-20 -153.93 51.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -175.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.35 73.01 Favored Glycine 0 C--O 1.229 -0.195 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.642 -174.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.4 OUTLIER -148.7 130.42 15.05 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 122.948 0.499 . . . . 0.0 110.07 -178.025 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 3.2 mp0 -78.98 114.16 17.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 169.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 137' ' ' LEU . 3.2 mm? -49.98 132.24 22.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.517 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.449 ' HD3' ' HB3' ' A' ' 76' ' ' ASP . 44.0 ttt180 -91.28 99.56 12.52 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.807 HG12 HD12 ' A' ' 73' ' ' LEU . 10.4 t -111.15 125.43 68.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.143 0.497 . . . . 0.0 110.264 -170.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -127.73 139.41 52.7 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.677 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.1 ttt -72.88 117.24 14.35 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . -119.94 82.25 1.86 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.182 0.515 . . . . 0.0 111.021 -176.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -80.11 86.23 5.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.2 0.524 . . . . 0.0 110.086 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -68.57 -41.63 79.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.082 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 79.75 172.07 43.1 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.749 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 151' ' ' ARG . 40.5 mtm180 64.0 92.31 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 121.04 0.448 . . . . 0.0 111.283 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.53 118.56 5.65 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.624 2.216 . . . . 0.0 113.08 -175.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.57 109.5 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.859 2.372 . . . . 0.0 110.544 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 25.1 t70 60.07 -98.24 0.08 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.96 -173.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 44.2 t 175.92 -41.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -123.11 -28.5 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.36 164.32 12.89 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.351 0.523 . . . . 0.0 111.533 176.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.385 176.749 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -80.66 110.86 16.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.635 ' CZ ' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -106.25 134.86 48.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 177.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HB3' HG22 ' A' ' 51' ' ' THR . 33.5 ttmt -108.61 135.14 50.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 111.506 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 46.9 tp -100.68 125.34 47.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.02 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.4 mm -103.68 99.88 9.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 12' ' ' LEU . 4.3 mp -85.35 102.48 13.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.703 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 10.1 t-20 -94.07 51.61 1.53 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.645 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -88.0 166.08 35.13 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.39 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -80.85 -36.66 31.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 0.0 109.872 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -97.26 -48.7 5.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 7' ' ' LEU . 2.1 tm? -110.56 103.46 12.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.37 0.605 . . . . 0.0 110.419 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.0 tttm -114.86 113.27 23.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.57 172.93 29.49 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.812 -1.185 . . . . 0.0 113.276 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.25 110.22 8.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.7 t -136.42 156.29 48.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.632 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 72.5 p -123.03 166.32 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -151.92 142.15 22.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -80.14 94.68 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.357 0.598 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.78 151.61 23.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.583 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -86.47 -27.44 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.836 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.31 164.84 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.937 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.6 91.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.59 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.65 -33.48 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.716 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -69.49 -41.66 75.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.092 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.27 -50.13 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.514 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.8 pt-20 -57.59 -33.58 68.34 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.459 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -61.16 -46.13 91.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.24 0.543 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -71.99 -38.27 63.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.444 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.0 m-30 -64.82 -34.91 79.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.116 177.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 96.4 mttt -67.17 -41.54 85.77 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.24 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.9 -42.56 94.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.23 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' HD1' HD21 ' A' ' 7' ' ' LEU . 25.1 t80 -62.82 -50.66 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.35 -49.61 73.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.399 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -67.07 -35.2 79.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.278 -175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.86 -40.99 88.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 30.7 m-80 -72.97 -34.81 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.36 -19.38 5.68 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.19 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.82 115.78 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.403 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -125.54 109.07 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.26 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.68 -168.61 11.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.859 -173.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 24.3 tp10 -71.47 124.55 24.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 94.1 m95 -89.75 98.48 11.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.172 0.511 . . . . 0.0 110.883 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -106.99 110.63 22.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.506 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.42 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 34.9 t80 -100.9 137.56 39.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.983 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.15 124.93 49.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.713 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.21 177.31 8.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.2 -43.61 0.55 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.698 0.799 . . . . 0.0 110.908 -174.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.1 p -90.76 -25.36 20.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.635 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . 74.8 mmtt 63.03 46.04 4.95 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.289 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 4' ' ' LYS . 22.3 p -115.33 130.95 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.614 -177.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 49.6 m-85 -102.63 112.77 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.594 173.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.6 m -99.89 112.72 24.97 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 54' ' ' VAL . 8.6 p -106.17 105.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.692 0.758 . . . . 0.0 109.707 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.703 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 29.5 m -93.79 123.04 36.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.503 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.645 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 14.6 tt0 -80.97 56.83 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.262 0.553 . . . . 0.0 111.044 -175.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.3 5.45 9.42 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.323 175.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 m -106.79 99.61 9.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.205 0.526 . . . . 0.0 111.081 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -103.02 94.44 5.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.233 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -66.26 -46.84 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.584 -171.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -92.72 -108.17 0.11 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.445 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 1.005 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 88.6 m-70 -139.2 164.81 28.82 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -63.15 109.12 1.42 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.491 . . . . 0.0 110.756 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.8 m80 62.5 22.3 13.18 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.073 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 1.005 ' HB2' ' HB2' ' A' ' 62' ' ' HIS . 64.0 mtt -130.05 76.71 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.25 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -75.01 -27.55 60.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.1 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.49 124.64 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.681 173.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.56 111.65 20.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.371 0.605 . . . . 0.0 110.384 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' HD3' ' A' ' 118' ' ' ARG . . . 148.07 84.14 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 31.8 mmt -91.31 -66.97 0.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.633 HG21 ' HA ' ' A' ' 122' ' ' LYS . 0.9 OUTLIER -75.31 121.79 22.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.175 -178.029 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 147' ' ' ALA . 4.4 m -101.06 131.62 46.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.181 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.768 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.3 mm? -108.45 145.07 35.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.939 177.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 14.0 tptp -106.27 114.26 28.28 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.098 177.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG12 HG13 ' A' ' 144' ' ' VAL . 1.2 m -104.68 121.79 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.93 -178.09 4.06 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 54.96 35.32 24.28 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -171.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 142' ' ' LEU . 24.8 tp -89.3 154.96 19.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.597 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.4 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 57.5 p -86.59 155.93 20.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -177.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -72.2 -16.03 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.292 0.568 . . . . 0.0 110.233 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.463 ' HD2' ' OD1' ' A' ' 138' ' ' ASP . 5.1 ptp180 -95.47 13.67 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.318 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.483 HG22 HD13 ' A' ' 102' ' ' ILE . 88.6 m -82.78 121.11 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.375 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.854 ' O ' ' HB ' ' A' ' 86' ' ' THR . 18.8 m -97.53 154.5 37.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.705 ' HA ' HD12 ' A' ' 102' ' ' ILE . 50.7 Cg_exo -52.94 -43.52 56.03 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.323 2.015 . . . . 0.0 112.88 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.88 -25.91 66.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.854 ' HB ' ' O ' ' A' ' 83' ' ' SER . 3.0 m -54.65 -56.89 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.977 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.2 mt -70.4 -30.94 67.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.359 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 84' ' ' PRO . 94.9 mtt180 -55.12 -53.79 51.48 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 89' ' ' ARG . 40.6 ttp-105 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.482 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 86' ' ' THR . 2.2 t -74.11 -47.78 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.082 0.468 . . . . 0.0 111.244 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.604 ' HE2' HD22 ' A' ' 87' ' ' LEU . 37.9 m-85 -71.12 -36.51 72.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.363 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HA ' HG12 ' A' ' 97' ' ' VAL . 10.4 pt-20 -58.83 -20.53 51.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -67.85 -42.21 81.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.267 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.3 -39.44 20.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.29 -175.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -143.58 166.92 26.76 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.87 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -81.66 86.44 6.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.612 . . . . 0.0 110.521 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -76.6 141.35 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.351 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.66 -35.48 1.4 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.046 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -150.53 119.36 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 111.047 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.87 156.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.801 0.334 . . . . 0.0 110.223 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -136.5 94.54 3.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.038 0.447 . . . . 0.0 110.274 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 84' ' ' PRO . 23.2 mt -105.7 98.38 17.57 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 176.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.61 -177.62 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.075 2.517 . . . . 0.0 113.595 -172.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.83 93.14 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.023 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -71.16 172.84 8.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.819 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.564 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 7.3 ppt_? -73.77 -4.59 35.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.481 . . . . 0.0 110.825 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -84.59 -31.63 24.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.4 p -130.04 156.87 43.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.84 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' A' ' 110' ' ' GLU . 32.1 mmtp 58.39 -145.69 0.55 Allowed 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.614 174.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -99.27 -4.89 30.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.435 -178.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.564 ' OG ' ' HA ' ' A' ' 106' ' ' ARG . 31.3 m 71.69 118.98 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.091 0 O-C-N 123.966 0.791 . . . . 0.0 111.386 -177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.503 ' HG3' ' CG2' ' A' ' 102' ' ' ILE . 3.5 mpt_? 69.76 -106.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.782 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.36 -50.73 4.06 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.881 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -146.84 162.52 38.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 168.0 28.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.604 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.7 m-85 -126.88 152.32 47.22 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.991 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 73' ' ' LEU . 9.2 m -136.47 137.99 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 71' ' ' THR . 79.2 mtt180 -118.8 128.56 54.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.328 0.585 . . . . 0.0 112.008 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.57 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 56.9 m-85 -107.76 170.27 8.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.515 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -54.9 -65.23 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.152 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.5 t70 -130.68 169.16 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.943 -176.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.633 ' HA ' HG21 ' A' ' 71' ' ' THR . 41.7 tttm -61.66 -26.38 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.62 0.248 . . . . 0.0 110.508 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 18.8 ptp180 -59.2 -34.94 72.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.067 0.461 . . . . 0.0 110.517 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 15.3 m-20 -79.29 -31.55 43.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.312 0.577 . . . . 0.0 109.956 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.23 -40.07 46.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.29 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.492 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 42.0 mt-10 -70.63 -32.83 70.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 0.0 110.818 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.72 -41.7 97.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.23 -52.86 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.291 -173.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.712 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.47 -33.73 73.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.738 0.304 . . . . 0.0 111.174 -175.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.81 -45.52 42.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.0 110.502 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.1 59.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.138 -174.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.585 ' HE1' HG12 ' A' ' 90' ' ' VAL . 27.4 tpp -74.55 -18.33 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 -175.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.5 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 30.2 t70 -73.42 82.05 1.43 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 130.98 19.02 1.3 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.44 -170.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -107.72 114.58 28.64 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 122.502 0.321 . . . . 0.0 111.398 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.906 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.7 t -82.46 94.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.915 0.388 . . . . 0.0 110.216 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.58 ' O ' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -83.94 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.578 0.704 . . . . 0.0 110.532 -178.076 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.463 ' OD1' ' HD2' ' A' ' 81' ' ' ARG . 4.2 t70 -160.68 -71.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.917 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.0 25.53 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.906 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -163.16 165.18 24.81 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.729 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 26.3 mt-10 -96.69 14.48 24.83 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.946 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.652 ' H ' ' HG2' ' A' ' 140' ' ' ARG . 1.9 mm? 51.63 -166.76 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.677 -171.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.5 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 12.1 tpp180 -146.67 93.37 2.28 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 168.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 22.0 t -105.08 115.27 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -129.69 168.35 16.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 53.6 tpp -71.69 122.88 21.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -116.49 103.76 10.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.182 0.515 . . . . 0.0 110.946 -177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 148' ' ' ARG . 37.6 ttp180 -97.41 122.85 40.92 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -69.02 111.26 4.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.389 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -66.92 -50.71 45.15 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -85.33 117.17 68.22 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 171.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 39.3 Cg_exo -59.43 117.32 4.04 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.328 2.018 . . . . 0.0 110.627 173.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 37.2 Cg_exo -59.85 104.33 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.866 2.378 . . . . 0.0 112.905 -174.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.51 139.14 40.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.058 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 30.9 p -98.69 -37.32 9.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.793 0.806 . . . . 0.0 108.941 173.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -154.12 136.37 14.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.534 -1.212 . . . . 0.0 107.805 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 174.46 138.48 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.884 0.373 . . . . 0.0 110.453 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.5 m . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.488 -0.768 . . . . 0.0 109.495 176.749 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -81.6 112.05 18.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -100.94 149.06 24.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.235 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 51' ' ' THR . 27.8 ttmt -111.86 136.34 51.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.171 0.51 . . . . 0.0 111.089 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 30' ' ' PHE . 60.3 tp -102.96 123.98 47.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.957 176.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 48.7 mm -104.05 101.85 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 12' ' ' LEU . 4.1 mp -89.64 100.12 12.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.858 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.4 t-20 -97.74 49.49 1.03 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.456 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -83.07 -170.7 46.47 Favored Glycine 0 N--CA 1.44 -1.055 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.745 -174.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -89.25 -49.18 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.018 0.437 . . . . 0.0 110.434 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 m -104.18 -10.25 18.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.904 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -134.07 118.71 18.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.722 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.7 tttm -142.77 96.75 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.162 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.0 28.41 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -123.42 126.06 46.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -139.23 165.01 28.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.364 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -137.1 163.89 29.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.359 . . . . 0.0 111.239 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -154.97 146.54 23.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.694 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.26 99.56 10.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.2 149.59 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.976 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.89 -23.8 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.758 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -154.56 158.26 39.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.408 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.06 84.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.641 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -66.62 -27.28 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 29' ' ' VAL . 24.7 m -72.5 -46.93 52.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.872 175.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.442 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.4 pt-20 -61.58 -34.07 74.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -175.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -68.0 -37.96 82.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.859 0.361 . . . . 0.0 110.76 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 25' ' ' THR . 22.6 t -72.17 -34.69 50.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.433 0.635 . . . . 0.0 109.823 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.655 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.2 m-30 -66.84 -34.97 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.989 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.03 -35.9 79.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -60.27 -48.56 81.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.101 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.437 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.4 t80 -60.14 -51.12 70.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.432 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -63.11 -36.49 83.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.33 -36.81 77.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.64 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.2 m-80 -84.05 -8.97 58.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.768 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.44 18.49 52.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.534 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.56 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 4.7 p -121.42 129.0 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.141 0.496 . . . . 0.0 111.789 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.94 104.51 3.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.98 -151.27 8.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.888 -173.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 39.3 tt0 -70.03 96.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 77.6 m95 -68.85 112.08 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.845 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.41 114.34 16.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.44 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 49.0 t80 -98.75 131.72 44.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.296 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -111.67 116.54 30.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.362 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.44 -20.81 59.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.099 -176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -53.67 9.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.973 0.416 . . . . 0.0 110.847 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -86.45 -2.21 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.527 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.55 34.11 18.02 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.52 0.512 . . . . 0.0 110.422 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 24.0 p -115.21 143.31 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' O ' HD12 ' A' ' 5' ' ' LEU . 62.8 m-85 -109.34 111.78 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 166.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.411 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 59.1 m -103.17 124.81 49.29 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 121.336 -0.146 . . . . 0.0 110.768 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.74 103.45 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 170.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 29.5 m -86.55 100.34 12.33 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.62 166.63 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.055 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 58' ' ' SER . . . 136.35 -7.72 4.02 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.312 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 57' ' ' GLY . 46.0 t 76.19 -40.09 0.38 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.319 0.648 . . . . 0.0 111.481 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 74.49 -40.06 0.44 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.8 0.84 . . . . 0.0 111.102 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.2 t60 62.2 38.46 13.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.268 0.556 . . . . 0.0 110.514 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -89.23 -14.52 35.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.46 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -80.1 109.04 14.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.864 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -121.29 108.89 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 66' ' ' ASP . 53.0 t-80 -83.01 106.33 14.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.797 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 52.8 ttm -89.5 90.81 8.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.17 0.509 . . . . 0.0 110.676 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.427 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 6.2 p-10 -116.73 10.12 14.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.935 175.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.89 161.86 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.702 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 120' ' ' HIS . 24.9 tt0 -171.65 167.82 6.42 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.553 ' CA ' ' HB3' ' A' ' 118' ' ' ARG . . . -121.88 73.35 0.37 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.8 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.8 mmt -96.84 -59.57 1.78 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.723 0.296 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.5 m -92.57 121.54 34.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -105.9 123.81 48.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.084 0.469 . . . . 0.0 111.513 -173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.56 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 3.3 mm? -93.55 156.23 16.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.802 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 1.075 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 11.3 tmtt? -127.26 109.85 12.24 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.758 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.502 HG12 HG22 ' A' ' 144' ' ' VAL . 2.3 m -100.71 138.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.581 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.49 178.7 6.78 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.12 29.55 17.59 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.785 0.802 . . . . 0.0 109.041 -170.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.625 HD11 HG21 ' A' ' 82' ' ' THR . 19.6 tp -73.8 133.45 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.11 -172.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 140' ' ' ARG . 2.3 p -70.09 152.85 43.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.05 0.452 . . . . 0.0 111.682 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.814 ' HD2' ' HB3' ' A' ' 111' ' ' SER . 52.5 m-85 -82.74 21.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.488 -170.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' HD3' ' OD2' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -133.97 9.91 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.147 0.498 . . . . 0.0 110.231 175.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.625 HG21 HD11 ' A' ' 78' ' ' LEU . 54.2 m -78.85 112.12 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.13 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.782 ' O ' ' HB ' ' A' ' 86' ' ' THR . 13.8 m -92.53 158.34 38.63 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.329 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -55.84 -43.25 58.98 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.361 2.041 . . . . 0.0 112.139 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.25 -34.43 68.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 109.89 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.782 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -61.37 -56.55 19.03 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.196 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.626 HD22 ' HE1' ' A' ' 91' ' ' PHE . 15.6 mt -69.24 -37.43 77.97 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.649 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HA ' HG11 ' A' ' 100' ' ' VAL . 39.3 ttp180 -54.91 -51.24 66.65 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -56.76 -41.69 78.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.833 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 86' ' ' THR . 4.9 t -73.68 -49.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.943 0.402 . . . . 0.0 111.096 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.626 ' HE1' HD22 ' A' ' 87' ' ' LEU . 34.7 m-85 -71.31 -27.76 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.732 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -71.98 -6.93 45.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.95 0.405 . . . . 0.0 110.959 -179.548 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -78.27 -39.6 39.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.112 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.38 -35.4 25.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.836 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.23 175.79 31.54 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -91.41 99.27 12.26 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.02 0.41 . . . . 0.0 110.813 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 1.8 m -86.41 143.49 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.788 0.328 . . . . 0.0 110.288 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.79 -32.24 5.44 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.071 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -156.23 128.58 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.646 0.26 . . . . 0.0 110.583 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.578 HG12 HG13 ' A' ' 117' ' ' VAL . 27.2 m -109.94 142.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 103' ' ' PRO . 44.2 t80 -138.48 116.23 11.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.482 HG12 ' HB1' ' A' ' 115' ' ' ALA . 27.0 mt -116.03 88.42 21.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.871 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 74.4 Cg_endo -91.74 137.52 1.93 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.419 2.746 . . . . 0.0 113.929 -174.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 103' ' ' PRO . 13.2 tpt180 172.11 -29.01 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.877 175.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -75.61 -60.22 2.41 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.56 ' HG3' ' HD1' ' A' ' 107' ' ' TYR . 4.5 ppt_? -59.74 -29.21 68.0 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -166.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.56 ' HD1' ' HG3' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -123.07 122.58 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.588 178.067 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.6 p 49.81 67.44 0.9 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.26 -173.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 109' ' ' LYS . 20.0 ptmt -57.02 111.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.507 -171.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -110.09 -67.82 0.97 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 171.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.814 ' HB3' ' HD2' ' A' ' 80' ' ' TYR . 40.5 t 177.67 -91.0 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.968 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.581 ' HB2' ' HA ' ' A' ' 80' ' ' TYR . 27.0 mmt180 -137.82 152.66 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -158.94 -48.8 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.017 -1.087 . . . . 0.0 112.719 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.444 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 39.7 p90 -140.96 153.89 45.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.482 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -144.0 156.21 44.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.97 0.414 . . . . 0.0 111.31 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -113.76 142.07 46.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.797 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 100' ' ' VAL . 21.2 t -131.82 117.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.122 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.553 ' HB3' ' CA ' ' A' ' 69' ' ' GLY . 84.3 mtt180 -102.54 122.26 44.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.799 0.333 . . . . 0.0 111.552 -174.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.777 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 44.8 m-85 -106.06 167.53 9.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 35.4 t-80 -63.27 -62.91 1.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.661 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.816 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.0 m-20 -119.78 -178.92 3.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.084 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 126' ' ' GLU . 49.5 tttm -72.34 -28.35 62.99 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.816 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 3.5 ptp180 -56.0 -37.85 69.67 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 176.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.777 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 12.8 m-20 -72.9 -37.3 67.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.515 0.674 . . . . 0.0 109.954 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.534 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -74.84 -38.34 62.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.314 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 50.1 mt-10 -65.28 -46.85 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.216 -177.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.06 -32.36 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.998 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.86 -53.66 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.56 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.74 -30.08 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.293 . . . . 0.0 111.163 -174.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.71 -46.94 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.186 0.517 . . . . 0.0 110.064 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.25 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.601 -174.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.752 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 57.8 mtp -92.16 1.89 56.93 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -164.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.76 84.2 2.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 116.43 27.44 2.85 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.003 -0.998 . . . . 0.0 111.303 -168.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.752 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -108.65 140.39 42.09 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 122.22 0.208 . . . . 0.0 111.042 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.9 t -95.69 111.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.808 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.58 -15.71 44.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.97 0.414 . . . . 0.0 110.24 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.556 ' N ' HD13 ' A' ' 137' ' ' LEU . 28.5 t70 -167.93 -68.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.048 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.35 32.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.844 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.704 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -160.43 138.01 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 122.501 0.32 . . . . 0.0 110.45 -178.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.9 mp0 -79.3 110.17 14.33 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -65.83 152.4 44.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.195 0.522 . . . . 0.0 111.325 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 21.1 ttm180 -99.51 94.05 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.502 HG22 HG12 ' A' ' 75' ' ' VAL . 23.6 t -98.14 110.12 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.028 0.442 . . . . 0.0 110.169 -176.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -117.19 155.79 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.211 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 14.4 mmt -66.89 117.6 9.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 1.075 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -79.8 81.4 6.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.441 0.638 . . . . 0.0 111.285 -174.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -95.96 -44.76 7.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 172.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -157.3 115.35 3.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.116 171.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -79.69 -8.34 87.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.316 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -99.94 121.74 53.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.785 0.326 . . . . 0.0 110.669 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 39.4 Cg_endo -66.57 134.53 35.8 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.704 2.269 . . . . 0.0 111.722 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 42.4 Cg_exo -56.91 -65.84 0.1 OUTLIER 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.572 2.182 . . . . 0.0 111.865 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -165.63 81.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.007 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 13.1 m -143.5 -173.46 3.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -47.01 150.67 0.73 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.493 165.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.33 119.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.029 0.918 . . . . 0.0 111.583 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 43.1 m . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.823 178.36 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.1 mmt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.138 0.494 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -84.32 91.82 7.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 75.4 m-85 -93.07 118.55 31.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.222 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 51' ' ' THR . 34.9 ttmt -112.2 136.99 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 63.6 tp -96.79 116.79 29.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -94.69 100.2 10.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.2 mp -87.54 99.5 12.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.314 -178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -97.41 72.84 2.4 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.375 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.08 177.23 33.75 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 119.5 -1.333 . . . . 0.0 112.138 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -64.74 -42.07 95.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.019 0.437 . . . . 0.0 109.959 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -120.23 -41.23 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.782 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 1.9 tm? -85.08 114.98 22.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.054 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 60.8 tttm -134.59 112.3 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.182 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.35 167.43 29.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.457 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 27.0 mt-10 -140.98 99.59 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -137.08 147.51 46.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.099 0.476 . . . . 0.0 111.838 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.614 HG22 ' HB2' ' A' ' 4' ' ' LYS . 71.5 p -100.45 163.74 12.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.666 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -135.03 0.65 2.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.811 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 1' ' ' MET . 47.3 mt-10 36.41 73.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.876 -173.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -86.08 153.17 22.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.113 -175.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -73.91 -30.84 29.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.058 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -134.66 162.72 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.932 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.48 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.03 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 29' ' ' VAL . 24.4 m -70.29 -39.03 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.056 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.78 -51.24 67.86 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 9.6 pt-20 -61.15 -39.11 88.85 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.811 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 49.1 tptt -54.79 -44.44 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.044 0.449 . . . . 0.0 111.471 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 25' ' ' THR . 48.0 t -70.25 -35.64 63.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.379 0.609 . . . . 0.0 110.42 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 23.1 m-30 -68.89 -30.95 69.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.318 177.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.44 -47.22 87.03 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.065 172.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -65.54 -30.14 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.596 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.62 -55.33 6.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.325 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.27 89.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.513 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.37 -39.51 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.605 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.71 -38.24 70.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.954 0.407 . . . . 0.0 110.828 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.782 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 31.1 m-80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.51 11.03 26.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.533 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.4 129.73 62.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.157 0.504 . . . . 0.0 111.411 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -136.54 86.93 2.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.238 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.61 -172.13 31.92 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.793 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.9 107.05 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.72 116.13 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 111.307 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -134.37 149.2 50.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.65 133.92 46.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.847 0.356 . . . . 0.0 110.689 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -97.06 115.62 27.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.671 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.027 0.441 . . . . 0.0 110.689 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.9 -68.11 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.208 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -82.99 -1.25 52.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 46.8 mmtm 61.5 32.53 18.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.325 0.583 . . . . 0.0 110.129 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 ' HB3' ' A' ' 4' ' ' LYS . 7.7 p -108.26 139.63 42.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.023 -174.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -101.16 145.03 29.32 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -138.04 124.18 20.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.567 0.222 . . . . 0.0 110.8 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 m -99.08 108.62 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.745 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.8 m -91.82 98.23 11.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.381 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.27 1.32 6.39 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 171.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.81 8.58 72.1 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.729 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.8 m -107.3 27.24 9.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.96 -43.01 89.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.085 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 55.5 t-80 -87.24 120.37 28.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 22.8 m170 67.09 109.61 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.705 0.628 . . . . 0.0 109.833 -170.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -68.79 111.0 4.61 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.222 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 34.6 m80 -81.09 -177.45 6.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.04 -173.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 63' ' ' HIS . 39.7 m80 67.38 -159.99 0.23 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.206 -173.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.402 ' H ' ' HB3' ' A' ' 64' ' ' HIS . 1.7 mpt? -71.55 114.67 9.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.8 0.333 . . . . 0.0 110.801 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -84.42 99.67 10.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.703 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.79 5.8 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.567 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.67 153.43 35.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.24 0.543 . . . . 0.0 111.248 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.5 70.21 0.86 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.645 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.568 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 1.5 mpt? -55.45 132.16 47.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 173.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.633 ' HA ' ' HB3' ' A' ' 148' ' ' ARG . 11.1 m -82.08 97.81 8.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.245 0.545 . . . . 0.0 111.312 -172.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 m -87.11 153.31 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.604 ' HB2' HG22 ' A' ' 117' ' ' VAL . 10.4 mt -100.54 153.16 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.865 174.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -109.87 113.42 26.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.923 172.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.598 ' HB ' HG22 ' A' ' 144' ' ' VAL . 1.3 m -99.36 127.19 52.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -129.46 179.42 5.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 62.84 23.04 13.76 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -171.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 82' ' ' THR . 19.4 tp -68.55 124.19 22.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.608 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -115.79 79.08 1.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -168.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.52 ' C ' ' HD2' ' A' ' 81' ' ' ARG . 3.6 m-85 60.91 170.14 0.1 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.174 171.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HD2' ' C ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER 45.19 11.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 170.005 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.619 HG21 HD11 ' A' ' 78' ' ' LEU . 13.8 m -80.21 109.34 14.59 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.663 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.797 ' O ' ' HB ' ' A' ' 86' ' ' THR . 6.0 t -84.02 147.02 50.05 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.96 -57.31 2.44 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.439 2.76 . . . . 0.0 113.74 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.73 -23.22 67.07 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.624 0.25 . . . . 0.0 111.267 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.797 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -54.58 -50.7 67.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.894 174.088 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 22.9 mt -70.49 -43.71 69.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.739 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 -38.82 70.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.727 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 42.8 ttm180 -60.28 -45.46 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.318 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 86' ' ' THR . 2.8 t -73.67 -42.99 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -176.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.664 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 61.4 m-85 -69.79 -34.89 74.34 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -65.7 -16.83 64.13 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.007 0.432 . . . . 0.0 111.463 -176.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.33 -41.01 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.295 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.503 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 83.3 m-85 -84.46 -43.69 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.609 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -147.95 179.94 24.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.364 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -79.49 92.67 5.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.452 0.167 . . . . 0.0 111.053 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.14 131.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.126 0.488 . . . . 0.0 109.782 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.52 -53.88 1.04 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.639 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.12 143.44 50.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.667 0.27 . . . . 0.0 110.67 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 117' ' ' VAL . 13.2 m -129.59 142.93 42.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -135.9 122.68 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.508 HD13 HG22 ' A' ' 82' ' ' THR . 59.9 mt -123.82 94.89 45.27 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.65 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.608 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 54.8 Cg_endo -97.11 -170.81 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.593 2.862 . . . . 0.0 113.827 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.817 ' HD2' ' HA2' ' A' ' 113' ' ' GLY . 36.7 ttm180 73.02 -43.54 0.57 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.389 1.076 . . . . 0.0 112.622 175.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -87.14 135.77 33.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.921 0.391 . . . . 0.0 111.242 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -143.66 -48.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.496 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.85 -61.62 1.36 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.954 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.4 t -171.93 156.69 4.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.01 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -133.72 146.89 51.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.054 0.454 . . . . 0.0 111.618 -176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' H ' ' CD ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -75.86 -26.93 57.56 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 p -98.69 -174.57 2.83 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.198 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.02 157.28 17.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.817 ' HA2' ' HD2' ' A' ' 104' ' ' ARG . . . -101.73 176.27 26.04 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.428 -0.892 . . . . 0.0 112.677 -177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.608 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 52.0 p90 -145.0 151.81 39.16 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.518 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -138.37 161.42 36.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.908 0.385 . . . . 0.0 111.449 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -122.69 140.57 52.72 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.738 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.604 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.9 m -134.09 122.56 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.485 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -93.83 116.12 28.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.276 -172.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.568 ' O ' ' HB3' ' A' ' 70' ' ' MET . 49.2 m-85 -98.33 168.46 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 111.404 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -64.06 -62.32 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.996 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.606 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 34.7 t70 -137.22 172.14 13.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.862 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.977 ' HD2' ' HA3' ' A' ' 150' ' ' GLY . 51.6 tttm -55.68 -34.3 64.91 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.304 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.606 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.9 ptp180 -57.0 -35.55 69.34 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.003 0.43 . . . . 0.0 111.177 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 12.6 m-20 -78.35 -36.75 45.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.477 0.656 . . . . 0.0 109.819 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.37 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.321 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 122' ' ' LYS . 51.8 mt-10 -64.25 -49.91 70.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.697 0.284 . . . . 0.0 110.534 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 1.7 t70 -53.96 -39.02 65.59 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.848 0.832 . . . . 0.0 109.525 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.58 8.72 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.285 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.596 ' HB3' ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -64.27 -29.63 70.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 -174.113 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.34 -48.89 25.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.517 . . . . 0.0 110.193 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.37 -48.51 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.523 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.664 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 30.6 tpp -69.25 -20.21 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.454 -172.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.82 84.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 131.3 9.38 2.67 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.855 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.663 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.12 127.5 38.7 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 122.966 -0.138 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.542 HG22 ' HG3' ' A' ' 141' ' ' GLU . 15.0 t -98.25 98.32 7.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.416 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.559 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -79.49 -18.01 52.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -177.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.559 ' N ' HD13 ' A' ' 137' ' ' LEU . 31.3 t70 -153.09 -70.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -147.56 28.94 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.56 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.665 ' HD3' ' HB3' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -160.64 133.87 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.783 0.433 . . . . 0.0 110.184 -178.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.6 mp0 -69.58 115.72 9.15 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -59.73 136.34 57.97 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.93 90.51 7.92 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.598 HG22 ' HB ' ' A' ' 75' ' ' VAL . 24.4 t -102.13 131.58 49.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.196 -170.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -131.24 176.72 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.331 -171.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.589 ' HE2' ' HG2' ' A' ' 129' ' ' MET . 16.1 mmt -80.29 117.66 21.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.003 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.48 -38.95 11.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 110.817 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . 0.633 ' HB3' ' HA ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -101.38 144.8 29.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.317 176.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -66.14 120.8 13.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.977 ' HA3' ' HD2' ' A' ' 122' ' ' LYS . . . -70.2 167.07 49.75 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 175.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.654 ' HB3' ' O ' ' A' ' 150' ' ' GLY . 40.6 ttt180 78.57 122.23 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -173.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 10.2 Cg_endo -51.98 123.84 13.36 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.167 2.578 . . . . 0.0 112.621 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 16.2 Cg_exo -68.6 75.12 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.015 2.476 . . . . 0.0 111.592 175.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 157' ' ' HIS . 9.9 t70 -145.48 142.09 28.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.28 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.5 m -76.2 -15.1 60.11 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -172.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.62 18.75 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.334 0.587 . . . . 0.0 111.021 178.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 154' ' ' ASP . 15.3 m-70 -133.37 106.43 7.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.429 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.031 -179.767 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 20.4 ttt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -85.39 103.9 14.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.411 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 20.1 m-85 -97.42 137.25 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.607 176.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.715 ' HB3' HG22 ' A' ' 51' ' ' THR . 34.7 ttmt -110.87 142.97 42.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.53 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.1 tp -110.52 120.99 44.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.247 175.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.95 99.67 9.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 12' ' ' LEU . 5.0 mp -80.41 99.6 8.05 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -96.04 33.05 1.78 Allowed 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -74.2 162.28 54.14 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.237 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -87.01 -25.08 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.063 0.458 . . . . 0.0 109.895 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -92.3 -13.68 29.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.089 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 7' ' ' LEU . 19.3 tp -164.93 121.93 1.54 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.197 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 62.5 tttm -114.7 115.05 26.47 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 171.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.489 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.92 157.27 27.2 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.163 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -127.57 106.09 8.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.0 t -133.42 163.35 29.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.506 0.193 . . . . 0.0 110.755 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 HG22 ' HB2' ' A' ' 4' ' ' LYS . 67.2 p -124.1 169.2 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.628 0.251 . . . . 0.0 111.171 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -149.1 151.88 35.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.077 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.3 97.89 9.14 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.27 137.8 47.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.233 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -84.74 -40.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 33.6 m-20 -106.24 157.44 17.58 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -38.7 81.74 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.93 -38.56 91.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.784 175.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 22' ' ' ASP . 26.3 m -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 110.404 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.21 -49.77 58.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.246 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 10.2 pt-20 -64.36 -26.45 68.48 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.46 -176.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.21 -50.7 72.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.324 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.3 -40.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.568 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-30 -64.36 -31.58 72.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.261 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -72.49 -35.02 68.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.97 -48.34 74.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.5 t80 -60.65 -47.95 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.15 -49.49 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.407 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.44 -38.99 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.601 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -86.13 -12.29 50.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.14 24.55 24.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.966 170.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.522 HG21 ' HA3' ' A' ' 9' ' ' GLY . 2.9 p -109.97 136.78 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.106 0.479 . . . . 0.0 111.165 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.26 141.03 34.0 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.28 -163.94 17.19 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 119.566 -1.302 . . . . 0.0 112.859 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.52 98.92 1.19 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.376 -0.412 . . . . 0.0 109.961 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -68.7 100.04 1.09 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.216 0.531 . . . . 0.0 110.498 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.92 112.68 21.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.58 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 29.6 t80 -100.44 128.31 46.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -97.57 115.76 28.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.4 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 3.5 p-10 -77.92 -14.1 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.47 -174.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.32 -58.05 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -93.07 0.04 57.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.575 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 61.26 45.23 9.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 4' ' ' LYS . 28.7 p -119.55 125.99 50.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.853 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 45' ' ' TYR . 64.6 m-85 -90.63 145.25 24.99 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -136.06 122.66 20.91 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.85 104.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.864 0.364 . . . . 0.0 110.06 172.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -89.06 100.27 13.08 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.784 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 45.6 tt0 -95.1 145.27 25.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.148 -178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.49 46.52 2.52 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.193 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 t -106.89 15.78 25.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.891 0.377 . . . . 0.0 110.812 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -112.48 -65.37 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.184 -0.323 . . . . 0.0 110.97 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.5 m80 61.13 -164.37 0.24 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.647 0.592 . . . . 0.0 110.756 -176.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -123.82 139.44 53.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -156.56 119.88 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.902 0.382 . . . . 0.0 111.857 -175.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 25.9 m80 69.5 25.97 5.25 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.684 172.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -87.21 95.27 9.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.42 106.2 10.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.679 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -100.12 135.73 41.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.703 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 70' ' ' MET . 29.9 m -122.72 154.36 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.018 0.437 . . . . 0.0 111.244 -177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -97.4 -68.69 0.79 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.42 19.79 5.62 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.698 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.45 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 1.6 mpt? -69.46 101.87 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.148 0.499 . . . . 0.0 110.761 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.9 p -72.02 127.82 33.75 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.317 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 11.8 m -105.17 146.67 28.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.535 -176.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.786 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -113.25 146.9 38.57 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -112.8 117.03 31.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.119 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -103.0 129.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 173.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -130.84 170.37 14.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.188 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.1 m120 65.67 24.49 11.59 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -172.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD11 HG21 ' A' ' 82' ' ' THR . 35.5 tp -68.74 141.78 55.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.363 -172.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 36.2 p -67.7 142.37 56.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -77.33 14.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.401 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -127.83 12.33 6.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.966 178.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 78' ' ' LEU . 85.0 m -70.03 128.43 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.29 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.739 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.6 m -99.85 152.32 37.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.681 ' HA ' HD12 ' A' ' 102' ' ' ILE . 52.8 Cg_exo -52.06 -45.39 39.22 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.092 2.528 . . . . 0.0 113.158 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.453 . . . . 0.0 110.02 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.739 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -52.47 -54.52 31.3 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.07 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 25.7 mt -75.36 -43.37 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.34 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -55.51 -42.96 75.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HE ' ' HB3' ' A' ' 89' ' ' ARG . 8.3 ttp180 -51.29 -46.28 62.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.738 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 86' ' ' THR . 3.6 t -74.71 -49.89 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.33 . . . . 0.0 111.166 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' HD2' ' O ' ' A' ' 87' ' ' LEU . 68.5 m-85 -63.75 -33.4 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 -68.62 -7.33 32.02 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 111.595 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -75.99 -43.28 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.257 0.551 . . . . 0.0 109.786 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -83.24 -36.53 24.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.074 -173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -149.86 175.67 28.88 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.965 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -85.38 100.81 12.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.092 0.472 . . . . 0.0 110.81 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.7 p -96.44 134.33 34.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.263 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.4 -36.32 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.207 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -146.03 156.66 43.63 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.611 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 3.4 m -123.13 -55.91 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.188 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.457 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 80.9 t80 67.93 89.92 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.456 0.646 . . . . 0.0 110.808 -175.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.708 HG12 ' HB1' ' A' ' 115' ' ' ALA . 43.3 mt -103.22 99.01 13.22 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.608 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 101' ' ' TYR . 74.0 Cg_endo -90.11 134.59 2.15 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.043 2.495 . . . . 0.0 112.761 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.517 ' NH2' ' HA ' ' A' ' 83' ' ' SER . 5.3 mpt_? -106.21 101.1 10.6 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -76.71 97.69 4.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.084 0.468 . . . . 0.0 110.484 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.768 ' HA ' ' HG2' ' A' ' 110' ' ' GLU . 3.6 ppt_? -130.09 133.7 46.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.141 177.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.727 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 3.6 t80 157.88 -51.51 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 124.601 1.188 . . . . 0.0 108.468 171.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 109' ' ' LYS . 23.5 p -139.8 133.19 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.818 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER 73.68 -67.28 0.27 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.521 0.513 . . . . 0.0 110.974 177.448 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.768 ' HG2' ' HA ' ' A' ' 106' ' ' ARG . 51.6 mt-10 62.59 -77.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.409 0.684 . . . . 0.0 111.752 -178.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.0 m 69.88 -75.5 0.07 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.453 0.701 . . . . 0.0 112.037 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -135.23 158.76 43.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.942 0.401 . . . . 0.0 111.425 -172.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -100.64 142.32 15.77 Favored Glycine 0 N--CA 1.441 -1.002 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -141.71 156.71 45.61 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.708 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -145.0 154.53 42.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.924 0.392 . . . . 0.0 111.157 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.42 164.6 13.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.472 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -144.99 135.5 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 171.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -118.62 113.77 21.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 110.975 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.501 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 72.0 m-85 -99.31 168.21 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -67.28 -44.09 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 0.0 110.725 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.673 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.9 t70 -148.28 170.64 17.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.389 -177.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.584 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 61.7 tttp -59.2 -28.05 66.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.673 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 13.5 ptm180 -50.75 -46.79 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.679 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.668 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 18.5 m-20 -79.39 -26.76 41.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -80.36 -35.61 35.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.007 -174.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.604 ' O ' ' HE3' ' A' ' 129' ' ' MET . 34.4 mm-40 -63.37 -48.19 78.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.4 -37.28 80.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.4 -53.13 13.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.869 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.604 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -64.48 -33.39 75.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.878 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.68 -42.79 73.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.77 -53.09 11.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.472 -173.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.624 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 62.3 mtp -89.46 -0.81 57.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.413 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 32.2 t70 -75.12 88.37 2.44 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 169.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.469 ' C ' ' HB3' ' A' ' 141' ' ' GLU . . . 111.63 38.05 1.5 Allowed Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.837 -168.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 132' ' ' MET . . . -125.41 114.32 18.69 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 122.549 0.339 . . . . 0.0 110.963 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.735 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 0.1 OUTLIER -82.54 124.68 39.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.089 0.471 . . . . 0.0 111.933 -177.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.93 -13.5 21.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.416 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.53 ' N ' HD13 ' A' ' 137' ' ' LEU . 23.2 t70 -160.92 -75.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.327 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -133.11 14.17 4.9 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.888 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.735 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 16.2 tpp180 -145.4 128.52 16.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.819 -0.191 . . . . 0.0 110.545 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.575 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 2.5 mp0 -71.81 104.73 3.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 167.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.2 mm? -53.41 143.95 17.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.137 0.494 . . . . 0.0 111.96 -174.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 1.9 mmp_? -96.71 100.28 11.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 170.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.413 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 47.7 t -103.14 108.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.49 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -113.14 147.91 36.41 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.139 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 5.2 tpt -63.75 117.73 7.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.32 52.96 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.381 . . . . 0.0 111.428 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 58.38 -155.26 0.35 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.693 176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -108.29 115.56 30.35 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.261 0.553 . . . . 0.0 111.141 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -85.99 59.88 4.67 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 174.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -163.51 159.73 17.77 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -175.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.19 157.55 59.28 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.193 1.929 . . . . 0.0 110.278 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -47.84 110.21 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.2 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.868 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.5 m 65.74 17.34 10.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.176 173.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -116.01 -23.53 8.48 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.617 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -118.33 22.96 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.231 0.539 . . . . 0.0 110.422 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.768 178.178 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.561 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 46.8 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.649 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 28.4 tt0 -76.57 110.47 11.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -96.82 138.45 34.35 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.656 ' HB3' HG22 ' A' ' 51' ' ' THR . 24.4 ttmt -107.39 141.34 38.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.06 0.457 . . . . 0.0 111.707 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 30' ' ' PHE . 53.5 tp -108.01 124.4 50.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.889 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.6 mm -100.85 106.7 19.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 12' ' ' LEU . 5.0 mp -87.76 119.56 28.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.119 0.485 . . . . 0.0 110.157 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -116.41 47.89 1.35 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.757 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -77.66 179.72 50.64 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.615 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 42.0 mmtm -68.24 -46.93 69.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 109.978 176.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 m -105.92 -44.94 4.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.857 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -95.04 106.66 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.624 -174.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 53.0 mtpt -128.26 97.47 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.868 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.57 -176.02 22.39 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.2 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -109.9 153.27 24.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 t -163.52 158.35 20.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HB2' ' A' ' 4' ' ' LYS . 73.4 p -140.07 159.22 42.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.334 0.587 . . . . 0.0 111.451 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.498 HG22 ' CE1' ' A' ' 30' ' ' PHE . 13.7 t -146.83 129.07 15.71 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.817 169.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 44.6 mt-10 -77.23 96.02 4.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.559 0.695 . . . . 0.0 109.458 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.598 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -107.64 146.02 32.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.556 -173.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 m -75.91 -31.14 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 25' ' ' THR . 9.0 m-20 -129.21 159.88 34.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.822 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.12 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.032 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.42 -41.52 94.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.644 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 8.7 m -57.77 -44.41 86.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.373 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.77 63.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.735 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.83 -35.7 75.26 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.956 -175.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 32.3 mmmt -62.31 -39.17 92.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 25' ' ' THR . 28.2 t -73.67 -38.0 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.334 0.588 . . . . 0.0 110.379 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE1' HG22 ' A' ' 18' ' ' THR . 20.3 m-30 -67.51 -30.86 70.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.124 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.3 mttt -72.83 -34.2 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.886 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -61.39 -46.88 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.88 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HD2' HD21 ' A' ' 7' ' ' LEU . 8.7 t80 -63.13 -46.92 85.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.221 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.98 75.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.543 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -64.1 -35.74 81.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.48 -32.65 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.468 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.549 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 30.8 m-80 -88.74 -12.28 42.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.756 0.313 . . . . 0.0 111.261 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.41 31.88 12.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.33 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.494 HG11 HD23 ' A' ' 7' ' ' LEU . 3.7 p -119.44 128.39 75.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.169 0.509 . . . . 0.0 110.957 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -128.61 84.94 2.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.71 -179.41 22.87 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.272 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.69 113.12 8.39 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -71.56 117.15 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 p -127.54 114.12 17.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.306 173.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -99.31 125.17 44.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.1 0.476 . . . . 0.0 110.32 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.56 115.41 30.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.41 -37.41 71.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.07 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 111.533 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -104.22 -5.28 22.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.647 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.0 mmtm 58.47 39.21 25.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.367 0.603 . . . . 0.0 110.503 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.656 HG22 ' HB3' ' A' ' 4' ' ' LYS . 13.4 p -113.95 136.08 53.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.861 -175.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' HD12 ' A' ' 5' ' ' LEU . 56.2 m-85 -102.62 128.7 49.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.405 173.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 m -116.87 124.53 49.7 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.512 0.196 . . . . 0.0 110.64 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.43 104.57 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 172.324 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 m -86.49 96.85 10.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.892 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 9.4 tp10 -88.49 -22.05 23.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.77 123.65 5.07 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.321 -0.854 . . . . 0.0 113.766 170.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.3 m -101.35 -7.24 23.14 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 168.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -84.24 113.15 20.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.586 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -152.86 129.84 11.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.013 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -134.03 126.81 30.97 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.007 0.432 . . . . 0.0 110.343 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -154.5 94.48 1.7 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.801 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.52 111.34 9.4 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.16 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -129.51 112.72 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.194 0.521 . . . . 0.0 111.378 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.8 ptp -113.72 -21.22 10.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.396 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 68.76 179.76 0.24 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.773 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.57 88.46 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.635 0.731 . . . . 0.0 109.951 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -79.83 126.59 31.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.214 -173.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.79 145.13 18.12 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.527 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 46.3 mtm -105.38 149.77 25.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.887 0.375 . . . . 0.0 111.375 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m -92.11 118.82 31.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 118' ' ' ARG . 22.8 m -95.39 133.69 39.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.41 0.624 . . . . 0.0 112.526 -172.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -106.08 152.99 22.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.596 169.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.628 ' HD3' ' HB2' ' A' ' 114' ' ' PHE . 1.2 tmmt? -125.67 111.35 14.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 144' ' ' VAL . 1.5 m -86.26 138.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 11.6 t70 -130.51 173.15 11.13 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 58.85 25.76 14.0 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.726 0.774 . . . . 0.0 109.565 -173.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD11 HG21 ' A' ' 82' ' ' THR . 44.4 tp -80.95 148.95 29.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.198 -173.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 138' ' ' ASP . 3.8 p -73.59 156.39 38.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.167 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -78.58 -22.59 46.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.316 0.579 . . . . 0.0 110.071 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HD3' ' OD1' ' A' ' 138' ' ' ASP . 13.5 ptm180 -83.42 6.13 21.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.78 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 102' ' ' ILE . 14.8 m -70.28 119.95 15.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.745 0.307 . . . . 0.0 111.401 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.813 ' O ' ' HB ' ' A' ' 86' ' ' THR . 15.4 m -94.0 152.52 40.53 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.09 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.512 ' HA ' HD12 ' A' ' 102' ' ' ILE . 9.7 Cg_endo -53.79 -45.91 37.58 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.004 2.469 . . . . 0.0 113.061 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.61 -25.46 63.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.813 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.9 m -54.66 -52.13 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.215 177.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HE1' ' A' ' 91' ' ' PHE . 15.3 mt -71.36 -43.68 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.075 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -55.92 -44.93 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.517 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -53.81 -42.86 68.86 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.564 0.54 . . . . 0.0 111.571 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 86' ' ' THR . 4.6 t -74.21 -53.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.008 0.433 . . . . 0.0 110.987 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' HE1' HD22 ' A' ' 87' ' ' LEU . 50.6 m-85 -64.96 -31.98 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -7.51 40.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.696 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -75.45 -34.39 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.22 0.534 . . . . 0.0 109.844 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.42 ' HD2' ' HA ' ' A' ' 91' ' ' PHE . 51.3 m-85 -83.05 -36.55 24.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.744 -174.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -166.49 -170.69 31.71 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.218 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -82.9 98.89 9.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.738 0.304 . . . . 0.0 111.173 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.9 p -94.17 127.04 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.21 -22.07 7.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.326 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.3 119.25 7.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.135 0.467 . . . . 0.0 111.54 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.465 HG12 HG13 ' A' ' 117' ' ' VAL . 29.7 m -115.65 146.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.065 0.46 . . . . 0.0 110.529 174.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.517 ' HD2' ' HD2' ' A' ' 116' ' ' PHE . 90.7 t80 -135.54 112.17 10.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.584 HD13 HG22 ' A' ' 82' ' ' THR . 47.0 mt -118.26 108.96 41.18 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.97 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.96 -172.36 0.97 Allowed 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.472 2.115 . . . . 0.0 111.673 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -153.63 -60.88 0.14 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.116 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -142.31 109.94 5.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.854 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.587 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -171.38 -34.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.004 -179.367 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -89.86 104.42 16.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.411 -172.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.5 p 48.16 43.96 18.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.615 0.766 . . . . 0.0 112.938 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt 64.21 -78.84 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.371 0.668 . . . . 0.0 110.817 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.3 92.28 0.41 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.4 m -82.05 126.63 32.22 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.271 0.558 . . . . 0.0 110.567 -174.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -67.56 150.24 49.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.747 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.05 89.96 1.29 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.065 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.628 ' HB2' ' HD3' ' A' ' 74' ' ' LYS . 52.6 p90 -143.18 148.82 37.14 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.456 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -145.75 163.5 34.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.517 ' HD2' ' HD2' ' A' ' 101' ' ' TYR . 61.5 m-85 -115.13 140.97 48.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.024 0.44 . . . . 0.0 110.725 -178.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.465 HG13 HG12 ' A' ' 100' ' ' VAL . 27.3 t -135.47 120.88 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.22 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' A' ' 70' ' ' MET . 86.2 mtt180 -110.64 121.08 44.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.628 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.8 m-85 -101.71 168.22 9.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.502 176.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -62.53 -53.47 54.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.79 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 32.3 t70 -132.13 168.72 17.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.957 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.588 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 55.2 tttp -60.48 -27.71 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.104 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.79 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.0 ptt180 -55.39 -41.7 73.01 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.011 0.434 . . . . 0.0 110.648 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.635 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 12.6 m-20 -78.86 -28.21 44.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.353 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.95 -38.65 36.59 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.32 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.588 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 43.7 mt-10 -64.58 -42.73 95.43 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 110.226 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.45 -42.15 77.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.89 -54.17 5.82 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.238 -173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.582 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -55.87 -38.58 70.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -174.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.483 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 15.8 t70 -72.05 -49.1 39.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.033 0.444 . . . . 0.0 110.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.4 62.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.291 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.846 ' HB3' HG21 ' A' ' 144' ' ' VAL . 86.4 mmm -87.27 -7.45 57.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.355 -176.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 13.46 0.71 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 122.781 1.276 . . . . 0.0 110.093 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.625 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . -161.22 34.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.655 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.594 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.62 130.37 52.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.668 0.27 . . . . 0.0 111.21 -176.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.842 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 10.0 t -96.88 102.87 14.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.659 0.266 . . . . 0.0 110.334 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.672 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.8 OUTLIER -89.58 -10.45 46.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.18 0.514 . . . . 0.0 110.348 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.453 ' HB3' HG21 ' A' ' 79' ' ' THR . 19.2 t70 -155.61 -75.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.765 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.53 15.73 2.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.592 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.842 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -154.89 176.75 12.1 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.625 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 33.4 mt-10 -101.08 117.41 34.97 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.148 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -58.78 138.34 57.22 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.615 178.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.651 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 20.9 tpp180 -92.92 80.65 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.846 HG21 ' HB3' ' A' ' 132' ' ' MET . 59.0 t -83.15 109.71 17.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.41 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -108.15 153.99 22.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.801 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 117.69 9.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -105.62 14.03 29.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -172.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -92.39 -58.02 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.085 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -149.39 133.53 17.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.87 0.367 . . . . 0.0 110.128 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.88 153.5 8.38 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.445 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.462 ' HA ' ' HD3' ' A' ' 152' ' ' PRO . 99.6 mtt180 -92.08 135.25 27.37 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.941 0.37 . . . . 0.0 110.272 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 151' ' ' ARG . 20.1 Cg_exo -66.11 122.75 10.35 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.644 2.229 . . . . 0.0 111.34 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.58 -37.14 98.12 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.838 2.359 . . . . 0.0 112.008 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -146.79 155.95 42.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.845 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.9 m -80.47 -33.48 36.63 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -173.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -164.34 66.85 0.15 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.407 0.622 . . . . 0.0 112.244 -173.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -124.92 27.56 6.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.003 0.43 . . . . 0.0 110.597 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.228 179.659 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 50.9 tpp . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.86 0.362 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.22 96.9 8.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.128 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 44.0 m-85 -82.27 141.55 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.654 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -106.19 117.84 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.817 -177.082 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 30' ' ' PHE . 47.6 tp -92.47 122.84 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -102.26 103.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.447 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 13.2 mt -83.09 124.88 30.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.216 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -136.88 115.12 11.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.914 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.04 -171.51 41.86 Favored Glycine 0 N--CA 1.436 -1.35 0 C-N-CA 118.926 -1.607 . . . . 0.0 113.529 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' HG3' ' OE1' ' A' ' 56' ' ' GLU . 41.8 mtpt -49.08 101.69 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.329 0.652 . . . . 0.0 112.058 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m 64.32 9.72 5.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.31 92.88 3.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.795 -0.566 . . . . 0.0 110.623 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.671 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 57.2 mttm -141.88 89.99 2.23 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.568 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.738 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.47 179.49 26.21 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.83 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -128.56 132.38 48.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 t -144.31 170.84 15.22 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.411 HG23 ' HE3' ' A' ' 4' ' ' LYS . 6.0 p -132.36 171.33 13.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.932 0.396 . . . . 0.0 111.025 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -153.41 147.07 25.12 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 172.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -83.03 96.8 8.46 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.37 140.3 52.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.103 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.3 -22.17 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.351 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -144.45 156.26 44.11 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.874 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.76 74.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.511 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -69.55 -46.12 67.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.312 0.577 . . . . 0.0 110.185 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.82 88.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.753 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -62.28 -31.88 72.52 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.731 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -65.41 -36.71 84.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.089 0.471 . . . . 0.0 110.99 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 t -76.22 -41.99 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.18 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.56 ' HB3' HD13 ' A' ' 5' ' ' LEU . 23.3 m-30 -61.89 -36.97 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.21 -36.64 83.56 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.47 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -63.05 -47.71 81.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.97 -48.81 80.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -50.35 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.575 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.12 -39.84 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.295 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.73 -36.82 81.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.13 -34.44 59.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.0 8.67 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.163 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -102.98 94.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.836 0.826 . . . . 0.0 110.697 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -101.21 120.03 39.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.489 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.1 -173.11 18.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.209 -174.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -83.18 125.44 31.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -92.58 112.79 24.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.104 0.478 . . . . 0.0 111.731 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.528 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 25.1 p -106.29 144.15 33.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.513 172.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 51' ' ' THR . 60.1 t80 -130.49 131.92 45.38 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.816 0.341 . . . . 0.0 110.679 -177.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.11 115.35 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.735 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -66.38 -30.41 70.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.085 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.73 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.759 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 ' OG1' ' A' ' 51' ' ' THR . 1.6 t -113.5 1.87 15.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.388 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 59.1 40.42 21.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.318 0.58 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 4' ' ' LYS . 18.2 p -106.24 139.74 40.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.125 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HD2' ' HE2' ' A' ' 30' ' ' PHE . 48.0 m-85 -113.28 112.55 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.395 171.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.528 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 13.4 m -98.81 118.92 36.65 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.5 p -97.25 104.77 16.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 m -95.41 96.85 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.045 -170.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE1' ' HG3' ' A' ' 10' ' ' LYS . 4.1 tm-20 -104.79 102.09 11.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.15 147.57 18.61 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.631 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.7 p -67.58 120.56 14.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.964 0.411 . . . . 0.0 110.827 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -96.6 -47.81 5.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -160.99 144.47 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.999 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -103.36 88.67 3.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.542 0.687 . . . . 0.0 109.472 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -129.29 115.67 17.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.979 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -142.83 116.25 9.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.924 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -96.52 114.15 25.78 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.496 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 70.3 mtm -93.31 93.41 8.18 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.09 132.31 41.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.214 -173.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.54 130.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.982 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.29 143.97 29.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.774 -174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.05 170.81 46.74 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.014 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.498 ' HB3' ' O ' ' A' ' 119' ' ' PHE . 3.6 mpp? -90.88 169.14 11.17 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m -93.19 88.49 6.07 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 37.6 m -81.3 129.36 34.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.529 -174.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.851 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.9 mm? -90.25 156.65 18.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.047 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 1.003 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 9.6 tmtt? -125.62 106.52 9.81 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.5 m -94.21 137.09 23.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 5.7 t70 -131.86 -179.12 5.2 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.27 -175.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.518 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER 70.04 -66.75 0.26 Allowed 'General case' 0 CA--C 1.52 -0.181 0 O-C-N 124.167 0.917 . . . . 0.0 108.615 -170.074 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' OG1' ' A' ' 82' ' ' THR . 11.7 tp 58.11 -174.95 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.938 0.774 . . . . 0.0 111.545 170.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.582 HG21 ' HB3' ' A' ' 138' ' ' ASP . 21.1 p -108.59 -8.7 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.843 -0.536 . . . . 0.0 110.773 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 69.9 -30.62 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.553 0.741 . . . . 0.0 111.049 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 79' ' ' THR . 6.3 ptm180 -84.58 6.01 25.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 173.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.566 ' OG1' ' HG ' ' A' ' 78' ' ' LEU . 5.3 m -62.38 151.0 38.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.431 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.583 ' O ' HG22 ' A' ' 86' ' ' THR . 23.2 t -130.98 143.26 48.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.71 ' HA ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -43.63 -51.59 6.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.943 3.095 . . . . 0.0 114.302 -175.596 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.59 -29.96 71.14 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.1 t -62.54 -39.09 92.49 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.668 0.271 . . . . 0.0 110.41 -176.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.588 HD22 ' HE1' ' A' ' 91' ' ' PHE . 56.9 mt -79.57 -36.55 38.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.67 0.271 . . . . 0.0 110.702 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.641 ' HG2' HG13 ' A' ' 100' ' ' VAL . 20.5 mtm180 -63.28 -29.84 71.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.387 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -71.61 -46.72 58.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 86' ' ' THR . 7.6 t -73.23 -52.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.84 0.352 . . . . 0.0 111.619 -175.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.588 ' HE1' HD22 ' A' ' 87' ' ' LEU . 37.7 m-85 -65.71 -32.34 73.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.3 OUTLIER -61.98 -21.01 64.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 111.406 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.31 -38.53 89.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.429 0.633 . . . . 0.0 110.033 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -83.63 -43.18 15.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.724 -175.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -153.8 169.56 32.42 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -75.79 98.54 4.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.27 0.535 . . . . 0.0 110.962 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.47 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 6.0 p -90.88 138.76 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.001 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.76 -46.0 3.27 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.868 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -158.5 174.17 15.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.641 HG13 ' HG2' ' A' ' 88' ' ' ARG . 15.5 m -125.79 -28.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 100' ' ' VAL . 86.4 t80 69.62 -74.78 0.08 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.568 0.347 . . . . 0.0 110.825 -177.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.764 HG12 ' HB1' ' A' ' 115' ' ' ALA . 38.7 mt 58.88 99.62 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.73 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -68.62 143.37 56.41 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.208 1.939 . . . . 0.0 110.891 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -94.79 134.77 37.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.26 0.552 . . . . 0.0 111.938 -173.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -76.71 76.66 3.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -169.97 -43.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.103 -172.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -79.3 176.32 9.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.923 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 t -69.81 115.95 9.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.697 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.84 175.07 12.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.159 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -118.17 -28.37 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.637 0.256 . . . . 0.0 111.461 -176.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.1 m -85.37 179.41 7.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.7 0.286 . . . . 0.0 110.844 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -80.5 169.69 17.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.237 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.79 76.69 1.54 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.769 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -94.04 -173.95 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.764 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -143.29 167.11 22.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.327 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -126.79 161.93 27.04 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.313 176.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.851 HG22 ' HB2' ' A' ' 73' ' ' LEU . 12.7 m -141.1 115.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 170.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 15.8 mtm180 -90.81 106.84 18.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -172.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.702 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 4.9 m-85 -97.24 154.77 17.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -54.97 -58.5 7.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.383 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.684 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 24.0 t70 -136.93 166.67 23.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.468 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -57.5 -30.78 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.712 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.684 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 17.5 ptt180 -54.45 -41.62 69.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.203 0.525 . . . . 0.0 110.362 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.702 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.1 m-20 -79.04 -38.55 36.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.505 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -68.11 -35.79 78.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.319 -174.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.423 ' O ' ' HE3' ' A' ' 129' ' ' MET . 44.4 mt-10 -71.36 -32.55 68.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.62 -42.0 99.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.757 0.789 . . . . 0.0 109.042 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.04 -52.84 6.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.596 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.668 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -62.01 -35.97 80.15 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 -174.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.31 -42.23 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 110.161 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.14 -53.5 9.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.507 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.577 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 78.7 mmm -76.87 -4.53 44.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.705 -166.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.516 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 25.6 t70 -72.85 81.49 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.704 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 127.82 11.28 3.28 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.772 -170.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.698 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -93.86 138.7 31.73 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.113 0.165 . . . . 0.0 111.054 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.685 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 9.7 t -102.32 110.59 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.859 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -90.11 -7.14 54.48 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.091 0.472 . . . . 0.0 110.971 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.582 ' HB3' HG21 ' A' ' 79' ' ' THR . 27.6 t70 -169.07 -71.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.809 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -144.97 28.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.685 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -148.82 138.31 21.84 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.72 0.408 . . . . 0.0 110.253 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.704 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 43.9 mt-10 -83.83 112.1 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -58.57 137.29 57.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.563 ' HB3' ' HG3' ' A' ' 153' ' ' PRO . 22.5 mmt180 -90.8 82.0 5.73 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 172.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.48 HG22 HG12 ' A' ' 75' ' ' VAL . 38.5 t -87.92 114.52 26.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.712 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -126.57 148.99 49.68 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.1 ttm -70.6 117.34 12.0 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 1.003 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -69.79 108.03 3.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 110.6 -175.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -102.86 -37.23 7.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.853 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -142.08 26.03 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.879 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 66.73 16.06 65.26 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.656 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 152' ' ' PRO . 34.0 mtp-105 -74.07 142.86 79.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.925 0.393 . . . . 0.0 111.856 -175.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 151' ' ' ARG . 2.6 Cg_exo -77.37 162.03 31.23 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 123.104 2.536 . . . . 0.0 110.598 167.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.563 ' HG3' ' HB3' ' A' ' 143' ' ' ARG . 97.8 Cg_endo -78.9 10.22 2.99 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.504 2.136 . . . . 0.0 112.375 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.21 170.07 16.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.511 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 12.2 p -86.93 -35.11 19.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -176.18 34.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.727 0.299 . . . . 0.0 110.936 -173.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -85.89 93.83 9.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.381 0.61 . . . . 0.0 111.392 -175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.903 177.023 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.404 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 24.9 tt0 53.76 93.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.294 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' O ' ' HA ' ' A' ' 17' ' ' THR . 3.8 m-85 -87.76 147.86 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.557 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.755 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 13.7 tppt? -107.94 127.55 53.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.899 0.381 . . . . 0.0 110.928 -178.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 30' ' ' PHE . 41.2 tp -97.52 125.27 42.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.946 173.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 15' ' ' GLU . 48.7 mm -106.41 103.2 15.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.5 mp -86.62 99.78 11.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.05 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.712 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 16.9 t-20 -99.24 48.95 0.95 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -92.3 -163.58 37.9 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.048 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -98.81 127.78 44.83 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m 71.89 -50.0 0.69 Allowed 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.572 0.545 . . . . 0.0 111.252 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 HD22 ' A' ' 7' ' ' LEU . 2.3 tm? -94.87 100.79 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 109.951 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 37.8 mtmm -126.92 107.34 10.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.436 174.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.501 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.64 -174.35 21.62 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.392 -0.909 . . . . 0.0 111.527 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.755 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -148.85 141.87 24.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 174.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -158.02 173.46 16.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.248 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 66.7 p -130.93 154.97 47.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.476 0.655 . . . . 0.0 112.418 -174.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 30' ' ' PHE . 8.8 t -133.55 134.67 43.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.593 170.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.06 72.58 4.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.424 0.631 . . . . 0.0 109.55 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.42 141.39 30.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.902 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.09 -8.71 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 18.4 t70 -150.81 153.57 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.69 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -71.61 -24.42 61.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 32.3 m -71.78 -42.48 67.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 0.0 109.591 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.78 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.354 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 10.7 pt-20 -59.75 -36.33 76.42 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.758 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.85 -33.94 77.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.414 . . . . 0.0 111.169 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.34 -40.95 35.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.272 0.558 . . . . 0.0 110.232 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.631 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.2 m-30 -68.07 -35.83 78.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.192 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -76.19 -21.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.088 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -73.84 -46.24 46.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -60.34 -47.27 86.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.412 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.07 86.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.54 -30.02 69.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 111.002 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -72.7 -45.9 56.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.425 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.57 -27.76 64.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.76 31.62 6.27 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.922 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.2 p -111.68 127.17 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.241 0.544 . . . . 0.0 110.994 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -124.37 114.02 18.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.621 176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -144.56 -176.96 19.03 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.849 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.01 120.9 15.6 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.536 0.334 . . . . 0.0 110.131 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -91.54 105.52 17.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.095 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.3 p -115.88 120.96 40.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.126 174.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -111.21 128.22 55.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.059 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -99.77 121.34 41.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.794 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.33 -24.83 60.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.819 -173.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -49.06 29.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 p -91.46 -7.47 50.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.842 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm 61.7 40.31 13.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.1 0.476 . . . . 0.0 110.498 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.653 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.2 p -113.45 126.89 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.019 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -97.32 112.45 24.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 m -101.67 112.24 24.75 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.3 p -99.94 104.81 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.614 0.721 . . . . 0.0 109.393 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.712 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.2 m -102.49 111.07 23.21 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.526 -173.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.497 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 4.4 tm-20 -91.06 -63.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.946 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.23 -20.95 75.52 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.091 -176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.51 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 58.8 p 52.38 -170.19 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.654 0.782 . . . . 0.0 112.325 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 62.94 21.86 13.11 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.89 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -117.05 131.84 56.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.055 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -164.34 -169.75 1.88 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.362 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.56 156.71 22.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.238 0.542 . . . . 0.0 111.907 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -73.1 -37.26 66.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.496 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.637 ' HB2' ' OD2' ' A' ' 66' ' ' ASP . 9.8 m80 -113.61 -176.55 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 ptp -95.32 24.39 5.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.359 . . . . 0.0 110.773 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.637 ' OD2' ' HB2' ' A' ' 64' ' ' HIS . 1.2 p30 -64.89 -75.24 0.09 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 177.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 m 47.9 -170.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.363 1.065 . . . . 0.0 112.386 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -88.4 -44.37 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.88 104.29 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.883 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -64.73 138.93 58.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.497 HG21 ' HA ' ' A' ' 122' ' ' LYS . 1.1 m -56.23 108.66 0.49 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 0.0 111.75 -167.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.5 m -105.89 149.14 26.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.159 -174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.913 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -115.62 145.66 42.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.218 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -113.59 113.47 25.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.424 HG22 ' HB3' ' A' ' 115' ' ' ALA . 2.0 m -96.78 134.02 36.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.25 175.65 8.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.79 24.85 14.74 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.856 0.836 . . . . 0.0 109.279 -172.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.515 HD11 HG21 ' A' ' 82' ' ' THR . 36.9 tp -84.83 158.72 20.58 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.563 -174.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.443 HG23 ' HD3' ' A' ' 140' ' ' ARG . 25.5 p -101.06 142.81 31.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.992 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -76.23 78.9 3.02 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.751 0.786 . . . . 0.0 109.801 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -174.94 -25.64 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.393 -1.276 . . . . 0.0 107.794 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 78' ' ' LEU . 67.9 m -62.36 109.42 1.34 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.326 -1.307 . . . . 0.0 110.443 174.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.808 ' O ' ' HB ' ' A' ' 86' ' ' THR . 43.6 m -90.62 158.67 42.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.366 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.659 ' HA ' HD12 ' A' ' 102' ' ' ILE . 66.0 Cg_exo -49.52 -46.98 24.39 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.582 2.188 . . . . 0.0 113.362 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.85 -25.64 67.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.808 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.5 m -59.84 -56.36 22.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.388 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.602 HD22 ' HE2' ' A' ' 91' ' ' PHE . 20.8 mt -69.69 -39.26 77.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.06 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -51.53 -50.54 59.81 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.5 ttp85 -51.62 -47.88 63.49 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.859 0.724 . . . . 0.0 112.119 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 86' ' ' THR . 2.5 t -74.81 -45.0 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.733 0.301 . . . . 0.0 111.626 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.602 ' HE2' HD22 ' A' ' 87' ' ' LEU . 51.9 m-85 -71.67 -35.97 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -16.69 61.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.813 0.34 . . . . 0.0 111.772 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -66.28 -39.96 89.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 110.061 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -83.31 -44.52 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.248 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -148.42 -178.84 23.87 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.119 -1.039 . . . . 0.0 112.953 -177.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -83.72 94.66 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.835 0.35 . . . . 0.0 110.984 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.401 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 7.4 p -99.78 132.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.3 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.82 -16.94 7.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.699 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD2' ' HD3' ' A' ' 118' ' ' ARG . 24.5 t70 -153.37 149.24 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 15.7 m -131.35 -51.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.762 0.315 . . . . 0.0 110.749 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.43 ' N ' HG23 ' A' ' 100' ' ' VAL . 30.5 t80 59.85 83.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 84' ' ' PRO . 73.8 mt -95.96 103.98 15.19 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.25 80.82 1.55 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.92 2.414 . . . . 0.0 114.224 -168.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 104' ' ' ARG . 28.0 mtm180 -79.82 -32.97 40.71 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 166.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -108.65 133.3 52.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.705 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER 73.85 152.85 0.13 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.063 0.852 . . . . 0.0 111.001 -177.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.526 ' H ' ' HD3' ' A' ' 106' ' ' ARG . 91.5 m-85 70.51 176.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.561 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 t 173.46 155.01 0.11 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.693 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -176.09 81.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 174.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 67.81 -64.35 0.28 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.024 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.5 m -145.6 157.6 43.95 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.97 51.13 2.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.225 0.536 . . . . 0.0 110.347 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.31 34.34 4.89 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.756 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -142.64 144.12 32.65 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.6 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.2 162.09 41.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.349 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 91.6 m-85 -115.48 158.7 22.18 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.73 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -142.86 132.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.432 ' HD3' ' OD2' ' A' ' 99' ' ' ASP . 5.5 mpt_? -113.94 111.41 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.106 0.479 . . . . 0.0 111.018 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.719 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 60.2 m-85 -94.28 168.56 10.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.281 175.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -66.88 -54.44 22.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -134.87 179.47 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.948 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.586 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 53.7 tttp -64.02 -33.09 74.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.169 -177.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.404 ' HE ' ' CG ' ' A' ' 124' ' ' ASP . 0.9 OUTLIER -52.2 -42.12 63.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.719 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 17.1 m-20 -79.06 -32.73 44.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.353 0.597 . . . . 0.0 110.259 -176.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.429 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -76.55 -38.92 54.25 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.303 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.586 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 32.2 mt-10 -68.92 -42.7 76.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.224 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.54 -36.34 69.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.87 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.6 -53.73 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.244 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.55 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.21 -31.29 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.568 0.223 . . . . 0.0 111.217 -174.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.89 -39.03 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.52 -48.4 22.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.57 -177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.751 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 34.8 ttm -89.87 -9.45 48.96 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.63 85.99 0.9 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 169.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 118.0 23.22 3.66 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.515 -169.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.751 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -105.26 143.11 33.89 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 122.779 -0.248 . . . . 0.0 111.026 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 21.3 t -105.7 102.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.648 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.01 -5.21 53.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.384 0.612 . . . . 0.0 110.223 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.447 ' N ' HD13 ' A' ' 137' ' ' LEU . 21.4 t70 -157.03 -66.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.801 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -158.18 25.83 0.41 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.752 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.851 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -161.86 179.02 8.39 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.743 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 29.5 mt-10 -103.86 111.96 24.72 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.994 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.9 mm? -57.99 138.31 56.03 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.894 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 143' ' ' ARG . 23.9 mmt180 -98.75 85.49 3.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.171 0.51 . . . . 0.0 109.953 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 132' ' ' MET . 19.1 t -87.94 108.47 18.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.032 -176.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -113.78 139.88 48.75 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.859 -176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.606 ' HG2' ' HA3' ' A' ' 150' ' ' GLY . 36.7 ttm -72.33 117.61 14.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.36 156.28 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.836 -170.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 69.83 -69.28 0.17 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.706 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -131.8 87.96 2.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.306 0.574 . . . . 0.0 110.093 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.606 ' HA3' ' HG2' ' A' ' 146' ' ' MET . . . 175.47 120.93 0.62 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 68.43 152.58 0.13 Allowed Pre-proline 0 N--CA 1.463 0.222 0 O-C-N 124.19 0.582 . . . . 0.0 109.557 -172.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.6 110.74 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.302 2.001 . . . . 0.0 112.154 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.54 -166.74 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.656 2.238 . . . . 0.0 111.683 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -86.38 127.42 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.893 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 19.2 m -127.85 9.88 6.44 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -100.0 -2.34 34.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.644 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -82.17 -46.51 13.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.922 0.391 . . . . 0.0 110.534 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.415 -179.517 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -86.43 112.06 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' THR . 9.6 m-85 -101.35 130.36 47.52 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.668 ' HB3' HG22 ' A' ' 51' ' ' THR . 32.4 ttmt -104.67 130.92 52.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.018 0.437 . . . . 0.0 111.344 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 30' ' ' PHE . 54.0 tp -97.76 123.45 41.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -94.94 101.49 12.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.91 HD22 HD23 ' A' ' 12' ' ' LEU . 4.7 mp -81.64 106.61 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -104.79 37.55 2.12 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.39 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -90.66 172.7 37.67 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.344 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 1.014 ' HD2' ' HA ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -80.25 -33.44 37.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.559 175.699 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -79.91 -30.13 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.055 0.455 . . . . 0.0 111.02 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.91 HD23 HD22 ' A' ' 7' ' ' LEU . 17.0 tp -147.77 124.42 11.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.72 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.2 tttp -126.15 83.9 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.4 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.04 -178.52 24.14 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.016 -1.087 . . . . 0.0 112.475 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.8 mp0 -116.89 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -147.95 156.89 43.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 22.1 p -134.11 163.16 30.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 0.0 112.103 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.4 t -151.42 152.96 33.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.562 174.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.22 94.86 9.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.0 109.586 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.7 148.53 26.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.059 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.64 -13.35 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.68 155.06 35.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.888 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.27 87.58 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.292 0.37 . . . . 0.0 111.457 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.2 -37.09 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.065 0.459 . . . . 0.0 110.249 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -66.24 -35.32 80.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.188 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -50.78 61.74 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.985 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.3 pt-20 -61.2 -36.7 80.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -51.4 -48.85 62.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.271 0.557 . . . . 0.0 111.189 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.35 -35.18 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.968 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.2 m-30 -65.88 -31.65 72.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.119 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 25.7 mtpp -71.47 -29.21 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.357 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -66.32 -48.79 69.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.253 0.549 . . . . 0.0 109.667 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.481 ' HD1' HD21 ' A' ' 7' ' ' LEU . 29.0 t80 -62.05 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.486 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -66.27 -41.47 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -67.52 -35.48 79.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.837 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.34 -35.95 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.25 0.547 . . . . 0.0 110.23 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' CG ' HD22 ' A' ' 12' ' ' LEU . 47.1 m-80 -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.98 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.84 36.37 3.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.324 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.483 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.2 p -121.77 94.65 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-O 121.879 0.847 . . . . 0.0 111.624 174.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -103.33 85.03 2.41 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.71 -169.71 31.27 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.06 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -73.48 111.64 8.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -74.62 107.36 6.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.092 0.472 . . . . 0.0 112.002 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.0 p -115.91 143.3 45.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.726 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -126.72 136.05 51.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 0.0 110.988 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -111.17 125.59 53.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.252 175.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -86.77 -23.17 25.52 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.598 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.86 77.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.1 p -100.85 -2.8 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.319 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 59.93 39.92 19.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.406 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 4' ' ' LYS . 35.7 p -110.44 142.35 42.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.226 0.536 . . . . 0.0 111.752 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -105.89 145.17 31.61 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 m -132.74 120.05 21.14 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.22 103.5 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 121.22 0.534 . . . . 0.0 109.708 173.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -91.36 96.32 10.46 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.623 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 43.1 tt0 -82.71 131.91 35.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.18 104.56 0.42 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.874 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 1.014 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 19.9 t -60.43 -55.14 37.14 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -176.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -138.24 108.09 6.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.869 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -63.95 -29.43 70.6 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 175.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -101.17 86.12 2.96 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 168.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -60.71 -67.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.502 -172.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -82.1 114.34 20.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.029 0.443 . . . . 0.0 110.245 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -74.82 159.09 32.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.92 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 ptm -98.96 -176.13 3.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.801 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -129.96 -168.28 1.94 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 p -125.9 119.29 54.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.982 0.42 . . . . 0.0 111.436 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 54.14 -153.61 0.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.009 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.19 -58.26 0.67 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.993 -178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.9 mtm -129.8 149.47 51.53 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.685 HG21 ' HA ' ' A' ' 122' ' ' LYS . 2.5 p -88.17 127.51 35.43 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.135 0.493 . . . . 0.0 112.01 -175.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -105.34 131.62 52.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.636 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.858 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -109.08 145.57 35.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.27 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.752 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 18.5 tptp -111.63 113.36 25.7 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.024 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.93 125.11 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -121.39 176.02 5.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.449 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.686 ' HA ' ' HB2' ' A' ' 112' ' ' ARG . 44.3 m-80 62.6 19.87 11.61 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 124.019 0.825 . . . . 0.0 109.052 -172.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 82' ' ' THR . 26.5 tp -62.86 133.09 54.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.654 -174.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 4.2 p -64.47 147.52 52.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.996 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -63.07 -33.73 76.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.567 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -93.0 29.21 1.89 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.865 0.364 . . . . 0.0 111.863 -175.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.627 HG21 HD11 ' A' ' 78' ' ' LEU . 17.6 m -83.35 118.02 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.424 176.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.617 ' O ' ' HB ' ' A' ' 86' ' ' THR . 50.4 p -93.89 153.67 40.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 122.326 -0.234 . . . . 0.0 110.469 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -51.48 -41.57 59.54 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.002 2.468 . . . . 0.0 112.822 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.32 -36.22 79.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.116 0.484 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -58.35 -57.95 10.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.3 -177.116 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.2 mt -64.3 -42.2 96.48 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.172 -175.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -55.9 -51.03 69.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -61.91 -37.64 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.61 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 86' ' ' THR . 13.4 t -73.4 -50.08 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.849 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.609 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 25.3 m-85 -65.5 -34.89 79.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.104 -175.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.5 pt-20 -70.57 1.59 5.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -72.01 -45.06 62.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.016 0.436 . . . . 0.0 110.144 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 127' ' ' ASP . 70.7 m-85 -84.79 -41.12 16.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.419 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -137.79 -174.17 13.26 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -102.25 94.83 5.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 118.204 1.002 . . . . 0.0 110.865 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 3.0 p -88.82 134.57 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.979 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.49 -35.29 1.61 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.449 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.94 110.13 12.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.201 0.501 . . . . 0.0 111.152 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.3 150.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.702 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.05 103.45 4.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.329 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.1 mt -104.15 98.08 13.07 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.5 162.11 43.62 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.248 2.632 . . . . 0.0 113.804 -172.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -82.73 -176.33 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.248 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.511 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 4.3 p30 -70.47 137.63 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.919 175.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.51 -55.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -90.58 -75.13 0.47 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.708 -178.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.2 p -121.89 128.3 51.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.825 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.511 ' HD3' ' HB3' ' A' ' 105' ' ' ASP . 29.2 ttpp -140.58 -37.67 0.45 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.407 . . . . 0.0 110.12 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.23 -43.07 74.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.069 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.7 p -74.86 -67.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.411 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.686 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 5.6 ppt_? -162.16 153.62 18.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.716 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.96 169.93 40.94 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.439 175.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -146.9 154.9 41.84 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 167.24 30.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.857 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 96.9 m-85 -124.32 146.06 49.04 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.555 178.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.858 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -133.43 138.71 50.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.389 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 97' ' ' VAL . 26.9 ttm180 -117.12 115.44 25.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.0 112.322 -175.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.719 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 56.8 m-85 -96.53 170.76 8.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.627 175.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -70.64 -73.1 0.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.646 0.26 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.903 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 50.6 m-20 -109.21 179.75 4.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.9 0.381 . . . . 0.0 110.347 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.685 ' HA ' HG21 ' A' ' 71' ' ' THR . 46.0 tttm -67.81 -27.01 66.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.903 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 16.2 ptt180 -54.11 -42.93 69.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.904 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.719 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 14.3 m-20 -74.52 -36.41 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.565 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.56 -38.3 59.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.703 -173.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.562 ' O ' ' HE3' ' A' ' 129' ' ' MET . 38.6 mt-10 -62.98 -48.39 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.051 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 94' ' ' TYR . 58.5 m-20 -59.83 -31.21 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.538 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.38 -54.44 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.647 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.81 -30.9 71.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 -173.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 129' ' ' MET . 30.5 t70 -74.23 -45.2 49.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.171 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.59 -42.86 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.609 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.3 tpp -76.59 -17.58 59.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.629 -172.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.21 91.57 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.598 ' CA ' ' HB3' ' A' ' 141' ' ' GLU . . . 117.99 12.23 7.86 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.305 -170.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.72 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -100.68 126.36 47.2 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 122.996 0.519 . . . . 0.0 111.315 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.54 HG22 ' HG3' ' A' ' 141' ' ' GLU . 17.9 t -92.65 103.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.825 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -81.82 -12.48 58.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.396 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.502 ' N ' HD13 ' A' ' 137' ' ' LEU . 15.9 t70 -162.98 -72.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.324 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -136.38 10.99 4.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.225 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 3.1 tpm_? -146.31 135.89 23.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.886 -0.185 . . . . 0.0 111.077 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.72 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.4 mp0 -68.86 113.91 6.72 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 165.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -55.81 144.99 25.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.222 0.534 . . . . 0.0 111.493 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -100.51 91.24 4.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 132' ' ' MET . 21.4 t -104.23 117.44 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -124.85 162.68 23.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.403 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.39 116.8 9.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 110.254 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.752 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -99.9 174.77 6.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.535 -177.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -98.54 179.96 4.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.825 0.345 . . . . 0.0 110.733 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.533 ' CE2' ' HD3' ' A' ' 153' ' ' PRO . 1.5 t80 -89.1 38.73 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.964 0.411 . . . . 0.0 110.631 -173.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.23 93.93 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.674 -0.694 . . . . 0.0 113.051 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.09 114.96 60.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.3 143.07 75.63 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.669 2.246 . . . . 0.0 112.126 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.533 ' HD3' ' CE2' ' A' ' 149' ' ' TYR . 87.7 Cg_endo -80.61 -22.15 6.79 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.718 2.279 . . . . 0.0 112.102 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.561 ' OD2' ' HB2' ' A' ' 157' ' ' HIS . 17.5 t70 -94.58 167.01 11.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.449 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 25.9 t -133.96 139.81 46.35 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.675 0.274 . . . . 0.0 110.371 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 78.07 -26.68 0.18 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.234 1.014 . . . . 0.0 113.64 172.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.561 ' HB2' ' OD2' ' A' ' 154' ' ' ASP . 34.9 m80 -73.43 94.94 2.14 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.845 0.748 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.725 177.064 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -87.18 102.62 14.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.97 0.414 . . . . 0.0 111.327 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -103.21 140.94 36.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.99 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HB3' HG22 ' A' ' 51' ' ' THR . 26.8 ttmt -118.17 138.08 52.55 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 111.707 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' ' 30' ' ' PHE . 49.7 tp -99.44 119.91 38.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.958 173.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.644 HD13 ' HB3' ' A' ' 15' ' ' GLU . 46.4 mm -98.58 106.89 19.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.819 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.54 100.49 13.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.206 0.527 . . . . 0.0 110.374 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -98.93 51.51 0.97 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -80.89 177.04 54.53 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.241 -171.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -59.53 -41.8 90.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 m -124.89 -39.85 2.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.791 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.819 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -83.46 105.84 14.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.66 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.9 ttmm -120.89 97.12 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.755 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.62 -174.52 21.75 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.764 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.644 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -144.33 135.93 25.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.153 0.501 . . . . 0.0 111.032 174.405 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -138.63 156.13 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.8 p -126.81 152.77 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.098 0.475 . . . . 0.0 111.302 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.434 HG22 ' CE1' ' A' ' 30' ' ' PHE . 11.5 t -140.44 145.85 37.51 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 172.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -88.62 92.16 9.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.386 0.612 . . . . 0.0 109.695 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -108.57 153.38 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.663 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -90.88 -22.63 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.9 t70 -136.01 151.1 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.39 94.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.439 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.78 -25.5 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.22 0.533 . . . . 0.0 110.278 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 28.3 m -73.81 -43.74 57.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.053 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -63.24 -47.09 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.672 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.8 pt-20 -61.51 -34.23 75.15 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.314 -175.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HD2' ' HD2' ' A' ' 31' ' ' LYS . 26.3 mmmt -63.08 -37.87 88.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.155 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.6 -37.64 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.381 0.61 . . . . 0.0 109.94 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.3 m-30 -67.42 -30.7 70.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.045 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 68.3 mttm -68.34 -32.91 73.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.62 -30.08 70.28 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.646 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.442 ' HD2' HD21 ' A' ' 7' ' ' LEU . 30.1 t80 -80.88 -43.13 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 0.0 109.956 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -64.45 -49.6 70.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.14 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.06 -27.47 68.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.75 -39.94 80.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.563 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 39.4 m-80 -90.25 -14.96 32.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.485 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.23 29.11 11.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.162 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.447 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.1 p -117.28 122.89 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.192 0.52 . . . . 0.0 111.609 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.96 102.34 6.47 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.59 -170.17 13.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.203 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -68.93 105.8 2.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 69.3 m95 -68.3 107.26 2.76 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.623 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.86 110.57 16.04 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.322 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 52.9 t80 -101.88 128.11 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 111.45 -176.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.67 116.04 30.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.288 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.92 -39.82 95.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.925 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.17 -47.8 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.173 -174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 p -93.19 -6.09 48.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 62.92 37.46 12.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.076 0.465 . . . . 0.0 110.356 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 4' ' ' LYS . 36.0 p -110.01 130.53 55.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.894 -175.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' LEU . 70.4 m-85 -102.11 112.3 24.91 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 172.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.7 m -103.94 127.7 51.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.456 0.17 . . . . 0.0 110.557 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -98.08 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.414 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 m -87.69 105.15 17.17 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.871 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.582 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -94.29 168.99 10.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.163 -178.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.23 -44.48 64.5 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.379 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.8 m 63.83 -157.83 0.31 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 122.475 0.31 . . . . 0.0 110.652 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -112.72 111.48 22.31 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -61.88 146.17 50.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.258 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -87.79 172.57 9.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -99.19 142.28 30.88 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -55.94 115.03 2.16 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.319 0.58 . . . . 0.0 110.936 -176.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -80.93 127.86 33.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.304 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.2 tpt 74.02 117.8 0.05 Allowed 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.907 0.755 . . . . 0.0 112.489 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -98.76 147.59 24.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.195 173.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.6 m -99.43 147.78 6.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.086 0.47 . . . . 0.0 111.806 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -98.33 93.74 6.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.408 0.623 . . . . 0.0 110.53 177.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -115.86 68.08 0.28 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.489 ' SD ' ' HD3' ' A' ' 118' ' ' ARG . 51.2 mtm -61.37 112.04 2.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.361 0.601 . . . . 0.0 111.583 -173.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 m -92.71 130.42 38.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.487 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.591 ' H ' ' HB3' ' A' ' 149' ' ' TYR . 17.7 m -107.92 133.67 51.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.014 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.981 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -100.92 155.78 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.808 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 23.0 tptp -121.36 105.46 10.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -102.56 127.53 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' OD1' ' HB3' ' A' ' 114' ' ' PHE . 11.5 m-20 -124.26 178.89 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.682 0.277 . . . . 0.0 111.177 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 61.68 30.04 18.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.908 -173.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 82' ' ' THR . 27.3 tp -73.1 143.92 47.2 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.207 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.411 ' HB ' ' HD3' ' A' ' 81' ' ' ARG . 24.0 p -83.79 152.46 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.725 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -82.34 51.36 1.8 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.258 0.552 . . . . 0.0 110.983 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' HD3' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -157.82 11.77 0.2 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.938 175.041 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.583 HG21 HD11 ' A' ' 78' ' ' LEU . 20.4 m -91.16 108.18 19.7 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.729 ' O ' ' HB ' ' A' ' 86' ' ' THR . 56.9 m -90.78 157.57 43.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.58 ' HA ' HD12 ' A' ' 102' ' ' ILE . 4.3 Cg_endo -49.76 -44.28 36.89 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.606 2.204 . . . . 0.0 112.76 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.81 -33.23 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.824 0.345 . . . . 0.0 110.308 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.7 m -54.04 -58.23 8.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.62 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.561 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.8 mt -70.39 -37.67 74.55 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.758 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -54.86 -44.45 74.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm-85 -69.52 -39.59 77.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.659 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 86' ' ' THR . 3.8 t -74.57 -43.07 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.125 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' HG11 ' A' ' 117' ' ' VAL . 30.8 m-85 -69.55 -36.9 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.667 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -61.42 -19.06 61.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.595 -179.517 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.14 -39.14 89.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 109.894 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.64 -49.02 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.003 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.667 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -141.68 167.61 25.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -82.2 101.15 10.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.531 0.681 . . . . 0.0 110.265 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.407 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 3.0 p -87.58 136.8 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.783 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.09 -51.77 1.86 Allowed Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.217 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.5 161.21 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.42 160.04 37.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.147 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.449 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 54.5 t80 -139.45 94.88 2.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.931 0.396 . . . . 0.0 110.347 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.616 HG12 ' HB1' ' A' ' 115' ' ' ALA . 48.1 mt -112.55 95.82 33.79 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.4 140.38 19.26 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.662 2.241 . . . . 0.0 112.913 -175.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -101.18 73.13 1.49 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.35 0.595 . . . . 0.0 109.449 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -107.46 115.16 29.67 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' A' ' 106' ' ' ARG . 6.9 tmm_? -129.81 83.33 2.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.247 0.546 . . . . 0.0 110.692 -175.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -158.64 130.15 6.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.353 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.1 p 61.7 149.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.474 1.11 . . . . 0.0 112.685 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.471 ' HA ' ' HD2' ' A' ' 109' ' ' LYS . 3.3 mmmp? -97.69 76.07 2.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.579 0.704 . . . . 0.0 110.474 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.792 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 8.7 pt-20 -107.34 -170.84 1.77 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.518 174.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.1 m -70.28 93.08 0.82 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.244 0.545 . . . . 0.0 110.958 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.792 ' HG3' ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -166.4 -176.27 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.064 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.76 54.45 2.49 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 -170.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 112' ' ' ARG . 29.5 p90 -140.47 173.01 11.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.893 -0.654 . . . . 0.0 110.256 -173.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.616 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -146.5 153.71 40.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 89.8 m-85 -113.66 147.0 38.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.895 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.981 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.8 m -132.02 136.1 57.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.489 ' HD3' ' SD ' ' A' ' 70' ' ' MET . 41.7 ttm180 -111.88 111.48 22.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.74 0.305 . . . . 0.0 111.47 -171.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.598 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 66.3 m-85 -98.33 169.73 9.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.498 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -73.65 -51.3 17.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.833 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 8.7 m-20 -127.63 176.05 7.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.035 0.445 . . . . 0.0 110.554 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -70.43 -20.51 62.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.705 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.833 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 31.0 ptt180 -55.66 -44.61 77.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.761 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 9.6 m-20 -77.24 -32.16 55.54 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.436 0.636 . . . . 0.0 109.531 -176.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -69.51 -42.98 74.01 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.043 -176.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.525 ' O ' ' HE3' ' A' ' 129' ' ' MET . 35.2 mt-10 -63.67 -48.7 76.14 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.934 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.89 -30.57 70.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.502 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.62 -54.44 5.65 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.61 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.46 -39.87 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.793 -175.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.04 -40.31 94.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.67 -50.36 17.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.035 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.861 ' HG3' ' HB3' ' A' ' 135' ' ' ALA . 35.5 ttm -80.25 -11.52 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -172.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.57 84.05 0.28 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.493 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 121.04 11.44 6.3 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.653 -171.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.861 ' HB3' ' HG3' ' A' ' 132' ' ' MET . . . -101.44 131.62 47.46 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 122.478 0.311 . . . . 0.0 110.772 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.677 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 23.1 t -93.66 113.72 28.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.873 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.631 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.36 -17.46 34.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.239 178.423 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.564 ' N ' HD13 ' A' ' 137' ' ' LEU . 19.3 t70 -159.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.937 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.87 22.07 2.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 0.2 OUTLIER -145.73 129.91 17.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.27 . . . . 0.0 111.129 -177.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -73.7 107.58 6.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.8 mm? -56.77 146.52 25.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.322 0.582 . . . . 0.0 111.617 -176.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -102.01 85.78 2.75 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.592 HG13 HG12 ' A' ' 75' ' ' VAL . 19.2 t -95.04 109.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -173.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.883 HE21 ' HA ' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -114.09 164.94 13.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.08 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 26.8 mtt -82.55 117.32 22.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.808 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -92.02 -177.34 4.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.261 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.69 106.98 18.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.291 0.567 . . . . 0.0 109.679 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.591 ' HB3' ' H ' ' A' ' 72' ' ' SER . 6.8 p90 -86.65 15.75 5.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.292 -176.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -78.42 67.75 3.05 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.82 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -136.61 122.68 13.55 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.726 0.298 . . . . 0.0 110.357 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.56 174.29 11.21 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.713 2.275 . . . . 0.0 110.539 171.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -44.12 119.49 2.07 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.396 2.064 . . . . 0.0 111.701 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -68.03 144.68 55.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 -170.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 37.4 t -164.26 28.95 0.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.411 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -130.61 16.26 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.641 -175.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -105.1 122.12 45.22 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.735 -176.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.247 0.95 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.93 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.036 0.445 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -88.19 113.97 24.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.238 0.542 . . . . 0.0 111.414 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' THR . 24.0 m-85 -101.21 143.67 31.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.036 176.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.557 ' HB2' HG22 ' A' ' 17' ' ' THR . 4.5 ttmt -119.52 141.63 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.408 . . . . 0.0 111.57 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -105.05 128.92 53.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.283 174.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 15' ' ' GLU . 48.9 mm -109.47 109.73 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.715 HD22 HD21 ' A' ' 12' ' ' LEU . 5.5 mp -87.86 100.47 12.9 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.743 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -86.35 34.88 0.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.529 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.468 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -69.02 -29.9 72.27 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.072 -171.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm 69.52 -40.34 0.45 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.309 0.643 . . . . 0.0 111.37 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -61.07 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 167.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.715 HD21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -147.89 161.5 41.17 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.145 -1.389 . . . . 0.0 108.767 172.356 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -152.87 127.18 9.21 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.99 161.05 28.62 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.791 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 51.2 mt-10 -120.85 125.77 48.36 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -142.66 157.57 44.55 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 4' ' ' LYS . 50.8 p -133.24 153.21 51.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.338 0.589 . . . . 0.0 111.765 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -140.79 140.83 34.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.827 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.36 85.72 7.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.708 0.766 . . . . 0.0 109.402 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.57 148.59 23.63 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.134 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.99 -22.5 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.171 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -148.07 155.7 41.77 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.427 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.26 85.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.297 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.15 -26.52 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.621 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 m -72.61 -45.72 57.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.489 0.661 . . . . 0.0 109.885 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.88 86.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.581 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 pt-20 -60.76 -35.27 75.97 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.096 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.27 -36.44 77.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.169 0.509 . . . . 0.0 110.936 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.76 -40.99 40.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.199 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.4 m-30 -67.41 -32.65 73.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.6 mttt -68.23 -28.15 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.222 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.88 -46.54 74.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.414 ' HD2' HD21 ' A' ' 7' ' ' LEU . 17.8 t80 -62.74 -43.17 99.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.969 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.27 96.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.212 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -71.78 -33.18 68.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.795 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.7 -34.88 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.694 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 27.6 m-80 -90.23 -23.8 21.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.267 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.78 25.8 19.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.492 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.593 HG11 HD23 ' A' ' 7' ' ' LEU . 3.1 p -97.82 115.83 38.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.363 0.602 . . . . 0.0 110.93 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.33 79.33 1.24 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.82 -176.54 23.01 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.69 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -86.26 130.31 34.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.46 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 62.3 m95 -81.95 119.24 23.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.422 0.63 . . . . 0.0 111.694 -175.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 p -122.6 149.61 43.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.976 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -134.97 135.22 41.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -103.48 133.57 48.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.96 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.98 -8.36 57.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.65 -59.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.232 -0.293 . . . . 0.0 110.999 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.465 HG23 ' OG1' ' A' ' 51' ' ' THR . 3.8 t -85.1 -5.59 59.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.15 46.47 8.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.41 0.624 . . . . 0.0 109.95 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 4' ' ' LYS . 38.3 p -113.25 144.79 42.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.633 -175.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.12 145.11 31.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.11 172.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 m -137.77 130.85 30.38 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.939 0.399 . . . . 0.0 110.58 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.1 105.55 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.348 0.594 . . . . 0.0 109.494 174.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 m -84.06 104.89 14.49 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.598 -175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER -94.51 145.67 24.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 176.576 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.13 14.17 3.29 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.322 -174.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.405 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 20.6 m -83.11 -149.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.774 0.287 . . . . 0.0 110.479 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 77.78 138.0 0.07 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.639 0.775 . . . . 0.0 110.239 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -103.02 39.24 1.59 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.218 0.533 . . . . 0.0 110.93 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -119.55 144.24 47.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.45 173.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -83.29 95.84 8.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.4 0.619 . . . . 0.0 109.392 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 65' ' ' MET . 10.4 t-80 -97.32 115.43 27.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.291 -171.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -83.17 75.53 9.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.402 0.62 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.853 ' HG2' ' H ' ' A' ' 66' ' ' ASP . 43.7 ttm -174.57 -164.43 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.853 ' H ' ' HG2' ' A' ' 65' ' ' MET . 14.2 m-20 66.42 79.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.559 0.695 . . . . 0.0 110.792 177.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.493 HG12 ' CZ ' ' A' ' 148' ' ' ARG . 16.8 m -91.34 82.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.855 177.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -120.47 110.54 16.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.06 -171.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.28 6.56 3.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 113.047 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 43.7 tpp 63.22 -80.54 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.029 0.532 . . . . 0.0 110.169 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.65 HG21 ' HA ' ' A' ' 122' ' ' LYS . 2.3 m -120.0 88.87 3.02 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 167.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -80.89 136.93 36.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.109 -173.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.939 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.4 mm? -104.57 145.2 30.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.999 174.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 2.9 tppp? -106.3 109.45 21.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.666 175.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.462 HG23 HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -101.65 133.7 44.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -137.42 171.63 14.18 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.313 -0.242 . . . . 0.0 110.505 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER 64.12 29.28 14.12 Favored 'General case' 0 CA--C 1.519 -0.22 0 O-C-N 123.928 0.767 . . . . 0.0 109.142 -172.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD13 HG23 ' A' ' 75' ' ' VAL . 9.6 tp -64.26 145.42 56.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.311 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.9 p -90.37 166.2 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.59 ' HA ' ' HD3' ' A' ' 109' ' ' LYS . 59.3 m-85 -56.83 -44.92 82.54 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.302 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HD3' ' CG ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -88.88 15.1 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.284 -172.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.522 HG23 HG21 ' A' ' 86' ' ' THR . 96.5 m -73.68 122.72 22.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.719 0.295 . . . . 0.0 110.531 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.773 ' O ' ' HB ' ' A' ' 86' ' ' THR . 59.3 p -111.86 165.02 13.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 83' ' ' SER . 11.1 Cg_endo -55.86 -36.35 95.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.143 1.895 . . . . 0.0 111.27 174.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.97 -37.16 83.74 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.249 175.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.773 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -51.0 -57.39 8.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.646 178.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.585 HD22 ' HE1' ' A' ' 91' ' ' PHE . 36.0 mt -76.95 -38.54 53.13 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.027 -175.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -55.65 -50.81 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.084 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 86' ' ' THR . 1.8 t -75.22 -53.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.839 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.585 ' HE1' HD22 ' A' ' 87' ' ' LEU . 54.3 m-85 -63.55 -39.47 94.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -62.18 -14.67 39.94 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.409 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HB2' ' NZ ' ' A' ' 93' ' ' LYS . 4.7 ttmp? -79.58 -28.27 41.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.146 0.498 . . . . 0.0 110.711 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -84.62 -32.65 23.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.46 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -166.28 179.91 40.05 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' C ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -80.32 98.33 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.153 0.477 . . . . 0.0 110.264 -178.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 92' ' ' GLU . 7.7 p -91.69 130.39 40.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.535 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.52 -45.9 12.94 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -164.58 158.6 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.4 m -117.88 133.92 63.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.88 0.371 . . . . 0.0 110.086 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -113.75 99.14 7.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.16 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.465 HG12 ' HB1' ' A' ' 115' ' ' ALA . 24.7 mt -104.23 100.11 20.13 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.43 86.11 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.919 2.412 . . . . 0.0 112.86 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 107' ' ' TYR . 8.7 ttp180 -98.4 -63.69 1.1 Allowed 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 174.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t70 52.52 -89.21 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.901 175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -74.33 -74.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.959 -172.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.582 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 91.4 m-85 -87.68 -179.17 6.25 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.886 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -76.19 -15.47 60.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.058 0.456 . . . . 0.0 110.385 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.59 ' HD3' ' HA ' ' A' ' 80' ' ' TYR . 9.3 mmmm -145.31 -164.39 1.93 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.477 0.656 . . . . 0.0 112.003 -176.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' A' ' 109' ' ' LYS . 7.8 tm-20 -146.83 157.86 43.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.9 m -51.44 -38.07 51.84 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -106.62 -33.36 7.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.727 0.299 . . . . 0.0 110.726 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.401 ' H ' ' HB3' ' A' ' 110' ' ' GLU . . . 71.64 79.15 0.43 Allowed Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.007 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -128.06 155.04 44.99 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.465 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -141.36 159.51 42.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.88 175.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -118.82 148.58 42.71 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.162 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.939 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.0 m -130.25 132.05 65.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.873 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -97.5 110.83 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.227 -174.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 25.4 m-85 -103.09 158.14 16.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.738 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -58.01 -54.25 49.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.285 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.908 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 16.4 t70 -140.61 173.25 11.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.65 ' HA ' HG21 ' A' ' 71' ' ' THR . 76.0 tttt -63.5 -27.9 69.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.908 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 12.1 ptt180 -51.14 -43.62 61.24 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.553 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.555 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 9.9 m-20 -79.38 -32.98 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.022 -176.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -75.74 -33.6 60.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.723 -173.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.54 ' O ' ' HE3' ' A' ' 129' ' ' MET . 50.7 mt-10 -63.77 -52.27 61.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.829 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.25 -25.75 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.895 0.378 . . . . 0.0 110.668 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 91' ' ' PHE . . . -79.0 -53.05 7.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.62 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.617 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.25 -39.4 92.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.398 -175.41 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.59 -36.53 84.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.33 0.586 . . . . 0.0 110.055 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.72 -49.35 26.05 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.766 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.604 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 93.4 mmm -84.04 -17.16 41.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.757 -168.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.58 89.82 0.73 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.783 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 110.62 22.29 6.44 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.652 -171.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.636 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -104.57 135.22 46.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 122.122 0.169 . . . . 0.0 110.884 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 5.5 t -96.01 109.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.013 -176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.636 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.17 -13.53 46.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 110.124 177.442 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.495 ' N ' HD13 ' A' ' 137' ' ' LEU . 16.1 t70 -160.49 -76.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.053 -176.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.88 15.26 2.85 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 9.2 tpp180 -133.77 129.7 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.783 -0.708 . . . . 0.0 110.101 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.783 ' HB3' ' HA2' ' A' ' 134' ' ' GLY . 23.4 mp0 -79.93 105.5 11.26 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.1 mm? -54.25 142.99 24.32 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.574 0.546 . . . . 0.0 111.398 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -93.78 80.79 4.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.343 174.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 132' ' ' MET . 41.9 t -91.6 109.51 21.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.111 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -118.83 166.06 13.27 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.73 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 17.0 mmt -69.5 116.95 10.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.048 0.451 . . . . 0.0 109.969 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.74 -32.8 23.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.533 0.682 . . . . 0.0 109.186 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . 0.493 ' CZ ' HG12 ' A' ' 67' ' ' VAL . 21.8 mmm180 -98.84 96.38 7.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.851 171.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -66.64 161.43 23.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.68 -175.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.65 140.06 3.54 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.69 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -133.68 155.76 80.15 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 31.6 Cg_exo -59.45 137.31 77.24 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.775 2.316 . . . . 0.0 112.297 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 20.4 Cg_exo -66.84 -23.77 47.39 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.812 2.341 . . . . 0.0 112.011 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -65.59 -55.9 15.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.78 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.1 p -80.93 96.45 7.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.846 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -149.91 8.33 0.65 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.049 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -87.22 -53.18 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.468 0.652 . . . . 0.0 109.572 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.25 1.12 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.515 177.886 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . 96.2 mmm . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.084 0.469 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -96.08 105.18 17.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.384 -176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' THR . 25.5 m-85 -94.58 139.56 31.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.321 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.676 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 13.9 tppt? -110.25 129.67 55.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -176.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 30' ' ' PHE . 39.1 tp -100.53 124.48 46.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 176.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 53' ' ' THR . 45.6 mm -104.01 104.0 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.609 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.788 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 3.8 mt -87.5 118.69 27.14 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.502 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.59 36.18 4.65 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.749 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -75.46 -177.59 41.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.099 -170.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -59.67 -48.65 80.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.013 0.435 . . . . 0.0 110.124 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -107.02 -65.04 1.13 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.097 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 tp -69.36 116.28 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.145 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 32.9 mtmm -128.76 97.06 4.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.153 174.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.788 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -148.86 169.26 29.34 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.239 -173.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.676 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 2.2 mp0 -129.47 106.33 8.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.44 ' O ' ' HD3' ' A' ' 4' ' ' LYS . 14.5 t -125.79 173.23 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.873 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 21.2 p -131.45 172.17 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.458 . . . . 0.0 111.646 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -159.24 145.4 16.48 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.872 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -79.29 102.89 8.86 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.7 37.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 -175.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -69.08 -26.44 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.449 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -138.36 153.55 48.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.359 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -36.46 73.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.352 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -68.25 -36.11 78.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 110.144 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.8 m -64.73 -40.33 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.068 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.63 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 11.2 pt-20 -64.16 -31.38 72.56 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.939 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -60.98 -44.93 96.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.843 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.22 -44.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.38 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.573 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.9 m-30 -63.25 -36.35 83.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.033 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -65.01 -44.32 89.59 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.569 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -68.47 -44.94 73.74 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.22 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.5 -44.21 96.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.723 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -65.46 -53.5 41.88 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.558 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -66.62 -30.21 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.712 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.65 -36.05 78.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.985 0.422 . . . . 0.0 110.67 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -84.71 -44.73 13.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.79 38.87 0.17 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 119.901 -1.143 . . . . 0.0 113.635 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.723 HG13 ' HB1' ' A' ' 34' ' ' ALA . 2.8 p -129.76 110.28 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.471 0.653 . . . . 0.0 111.67 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.97 79.26 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.81 -171.62 17.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.108 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 9.8 tp10 -72.94 116.25 13.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.865 0.466 . . . . 0.0 110.155 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -84.95 108.33 17.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -112.93 115.5 28.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.887 0.375 . . . . 0.0 110.135 173.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 47' ' ' ASP . 50.7 t80 -107.08 134.85 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.055 0.455 . . . . 0.0 111.585 -176.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -107.29 120.63 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.063 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 4.7 p-10 -79.59 -17.39 53.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.79 -42.68 33.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.638 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -96.21 -9.18 31.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.394 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 60.1 42.91 14.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.672 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 4' ' ' LYS . 35.4 p -109.95 123.45 49.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.589 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -97.94 111.96 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.502 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 47.8 m -100.29 114.49 28.01 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.9 104.78 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.932 0.872 . . . . 0.0 109.295 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 7.2 m -89.64 117.53 28.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.719 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.749 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 6.4 tp10 -128.08 154.49 45.63 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.41 -96.64 0.11 Allowed Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.524 ' O ' ' HD2' ' A' ' 60' ' ' HIS . 19.4 m -134.31 99.06 4.27 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -77.98 87.55 4.15 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.524 ' HD2' ' O ' ' A' ' 58' ' ' SER . 7.7 p80 -131.79 166.89 20.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.825 -167.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -126.2 138.51 53.65 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 171.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.1 m80 71.4 141.16 0.05 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.844 0.715 . . . . 0.0 110.302 -174.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -117.93 90.04 3.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.525 0.679 . . . . 0.0 109.563 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -81.82 84.17 6.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.999 -176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.7 mmt -123.97 172.3 9.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.595 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -145.06 -47.72 0.23 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.324 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 67' ' ' VAL . 13.8 p -146.9 20.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.045 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 58.42 -97.96 0.08 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.481 -172.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.68 171.69 23.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.356 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.4 mtm -99.53 94.82 6.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.08 0.467 . . . . 0.0 110.58 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p -74.48 123.0 23.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.766 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 m -99.51 161.71 13.46 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.892 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.068 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.6 mm? -112.74 142.47 45.33 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 2.3 tmtp? -118.2 104.33 10.69 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -97.9 126.49 50.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -124.47 175.69 6.97 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER 62.93 19.11 11.37 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -172.481 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 HG21 ' A' ' 82' ' ' THR . 32.4 tp -71.76 145.27 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.489 -175.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.5 p -86.29 155.36 20.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.139 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -83.14 -7.91 59.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.246 0.546 . . . . 0.0 110.18 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -87.15 11.84 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.42 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 HD11 ' A' ' 78' ' ' LEU . 36.4 m -96.09 121.25 37.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.547 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.683 ' O ' ' HB ' ' A' ' 86' ' ' THR . 4.2 m -100.56 154.35 37.23 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.831 ' HA ' HD12 ' A' ' 102' ' ' ILE . 88.8 Cg_exo -44.35 -52.23 6.05 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.508 2.805 . . . . 0.0 114.587 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.576 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 41.1 m-20 -60.41 -24.74 65.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.814 0.34 . . . . 0.0 111.384 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.683 ' HB ' ' O ' ' A' ' 83' ' ' SER . 7.9 m -58.48 -57.08 14.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.234 176.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 102' ' ' ILE . 21.0 mt -70.86 -31.47 68.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.508 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HD2' ' HA ' ' A' ' 85' ' ' ASP . 77.2 mtt180 -52.95 -55.07 26.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.75 -40.98 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.813 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 86' ' ' THR . 2.7 t -75.14 -47.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.841 0.353 . . . . 0.0 111.381 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 119' ' ' PHE . 31.8 m-85 -70.86 -36.16 72.7 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -16.45 50.66 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.09 -35.48 64.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -84.93 -26.87 26.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.471 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.725 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -170.57 170.51 43.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.406 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -74.75 98.51 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.15 0.5 . . . . 0.0 110.63 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 4.1 p -88.78 134.23 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.871 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 -50.91 4.51 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -158.91 160.9 36.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 84' ' ' PRO . 30.6 m -117.86 -6.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 123.033 0.208 . . . . 0.0 111.509 -176.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 21.6 t80 61.31 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 112.521 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 84' ' ' PRO . 21.9 mt 54.38 90.01 0.09 OUTLIER Pre-proline 0 C--N 1.322 -0.604 0 C-N-CA 124.127 0.971 . . . . 0.0 112.294 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 89.9 Cg_endo -95.22 171.53 1.35 Allowed 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.242 2.628 . . . . 0.0 111.621 171.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -106.63 -26.16 11.47 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.085 0.469 . . . . 0.0 109.824 172.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.1 137.88 18.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.097 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.682 ' HB3' ' HZ ' ' A' ' 114' ' ' PHE . 15.0 tpp180 -161.53 -86.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.861 174.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -74.65 -60.1 2.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.259 0.552 . . . . 0.0 110.656 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.6 t -97.19 31.19 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.545 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.5 pttp 40.83 -143.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.012 -173.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 57.3 tt0 -92.17 27.17 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.428 0.632 . . . . 0.0 110.591 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.7 m -73.48 -37.21 65.82 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.228 0.537 . . . . 0.0 109.825 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -135.25 131.2 36.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.919 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.45 125.85 7.86 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.55 175.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.682 ' HZ ' ' HB3' ' A' ' 106' ' ' ARG . 41.0 p90 -146.56 151.4 37.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.558 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -136.87 144.62 43.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 127.6 47.91 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 1.068 HG22 ' HB2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -122.84 147.37 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -169.099 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -108.02 116.57 32.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.595 -175.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 97' ' ' VAL . 5.8 m-30 -102.97 169.43 8.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.147 174.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -76.82 -66.03 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.615 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.882 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 15.4 m-20 -124.02 172.63 8.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.709 ' HG2' ' HG2' ' A' ' 126' ' ' GLU . 57.7 tttp -61.2 -25.8 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.205 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.882 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 19.4 ptt180 -53.66 -40.61 66.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.378 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.725 ' HB3' ' HA3' ' A' ' 95' ' ' GLY . 14.9 m-20 -76.19 -42.75 45.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 -175.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 129' ' ' MET . . . -78.82 -31.31 45.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.132 -170.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.709 ' HG2' ' HG2' ' A' ' 122' ' ' LYS . 50.7 mm-40 -59.34 -44.07 92.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.447 0.641 . . . . 0.0 110.734 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -31.51 67.38 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.996 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.8 -53.37 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.586 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -60.89 -31.19 70.69 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.674 0.274 . . . . 0.0 111.361 -174.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.13 -50.29 13.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.478 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.56 -39.26 64.82 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.505 ' HG3' ' CB ' ' A' ' 135' ' ' ALA . 24.1 ttm -86.25 -7.9 58.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.868 0.366 . . . . 0.0 111.497 -174.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' HD3' ' A' ' 143' ' ' ARG . 15.3 t70 -68.19 92.44 0.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 114.65 22.34 5.11 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.212 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.624 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -96.12 110.64 22.87 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 122.31 0.244 . . . . 0.0 111.14 177.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.604 ' HA ' ' HA ' ' A' ' 141' ' ' GLU . 21.8 t -78.85 111.83 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.846 0 CA-C-O 122.75 1.262 . . . . 0.0 110.8 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.767 ' HB2' HD21 ' A' ' 142' ' ' LEU . 1.6 tm? -76.15 -35.73 59.08 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 112.514 -2.13 . . . . 0.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.421 ' HB2' HD13 ' A' ' 137' ' ' LEU . 29.7 t70 -158.2 -62.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.817 -177.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.38 8.28 3.45 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 77' ' ' ASN . 11.4 tpp180 -140.0 135.36 32.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.475 -0.862 . . . . 0.0 109.891 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.3 pm0 -85.14 122.18 28.97 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 137' ' ' LEU . 1.2 mm? -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.5 -177.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.446 ' HD3' ' OD1' ' A' ' 133' ' ' ASP . 16.0 tpp180 -89.84 79.46 6.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 172.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.488 HG21 ' HG2' ' A' ' 132' ' ' MET . 40.3 t -85.92 119.74 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.369 0.604 . . . . 0.0 110.774 -175.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -118.22 169.26 9.85 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.713 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 42.0 ttm -89.08 116.9 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.048 172.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -86.09 132.31 34.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.275 -177.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . 0.644 ' HA ' ' HE ' ' A' ' 148' ' ' ARG . 0.3 OUTLIER -79.19 105.63 10.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.96 -178.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -96.43 -24.86 15.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.379 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -83.82 55.34 5.01 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.062 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.477 ' O ' ' HD3' ' A' ' 153' ' ' PRO . 52.3 mtm180 -114.6 138.66 23.3 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 74.5 Cg_endo -89.07 107.3 0.44 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.765 2.31 . . . . 0.0 112.38 178.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 158' ' ' SER . 4.2 Cg_exo -81.24 -52.83 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.873 2.382 . . . . 0.0 111.497 177.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.652 ' HB3' ' O ' ' A' ' 157' ' ' HIS . 14.4 t70 -162.43 160.94 26.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.132 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 23.8 p -63.2 -38.25 90.44 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -129.4 -15.54 4.06 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -171.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' A' ' 154' ' ' ASP . 32.2 p80 -134.18 -167.25 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.645 174.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 153' ' ' PRO . 8.2 t . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mtp . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 18' ' ' THR . 8.4 tt0 -80.84 121.56 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -175.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -112.09 134.69 53.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.092 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.729 ' HE3' HG23 ' A' ' 17' ' ' THR . 1.5 tpmt? -102.53 126.28 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.606 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 52' ' ' PHE . 61.6 tp -103.05 122.96 45.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.081 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.8 mm -111.77 107.74 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD22 HD21 ' A' ' 12' ' ' LEU . 5.2 mp -87.45 99.25 11.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.161 0.505 . . . . 0.0 110.095 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.636 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 12.4 t-20 -88.46 41.06 0.99 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.714 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -73.44 157.79 52.17 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.294 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -89.82 -23.08 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 171.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -77.53 -51.09 11.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.88 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.859 HD21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.18 161.83 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.655 177.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 4.7 ttmp? -150.09 101.91 3.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 110.459 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.01 -176.26 22.93 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.778 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.61 ' OE2' ' HA ' ' A' ' 103' ' ' PRO . 33.1 mt-10 -110.88 161.32 15.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.978 0.418 . . . . 0.0 110.734 176.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 5' ' ' LEU . 9.2 t -167.11 143.13 4.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.249 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.729 HG23 ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -132.56 164.09 27.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -177.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 13.4 t -153.43 141.11 19.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.59 79.58 9.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -89.68 144.03 26.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.698 -171.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.6 m -79.76 -31.22 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.073 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -137.47 149.3 46.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.112 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.87 87.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.57 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -73.02 -27.45 61.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.171 0.51 . . . . 0.0 109.944 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 79.3 m -69.8 -45.17 68.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.787 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -61.65 -50.77 71.17 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.361 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.74 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 11.1 pt-20 -62.33 -30.66 71.32 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.188 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.1 -35.54 80.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.289 0.566 . . . . 0.0 110.667 -178.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 25' ' ' THR . 25.6 t -75.61 -33.47 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.583 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.52 -33.22 74.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.791 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.74 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptp? -58.05 -43.78 87.06 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.27 172.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.48 -45.57 92.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.514 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.425 ' HD2' HD21 ' A' ' 7' ' ' LEU . 15.5 t80 -65.27 -45.79 83.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.88 -40.22 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -69.06 -36.9 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.203 0.525 . . . . 0.0 110.684 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.747 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 22.8 m-80 -82.99 -19.81 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.194 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.63 38.07 9.98 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.044 -0.598 . . . . 0.0 113.405 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG11 HD23 ' A' ' 7' ' ' LEU . 6.3 p -108.88 134.91 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.076 0.465 . . . . 0.0 110.643 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -132.65 107.45 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.44 -177.37 20.15 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.425 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.66 109.85 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' CZ2' ' HD2' ' A' ' 31' ' ' LYS . 63.4 m95 -70.12 99.51 1.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.263 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.17 109.63 19.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.257 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.596 ' HA ' ' O ' ' A' ' 51' ' ' THR . 45.7 t80 -106.92 121.64 44.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.95 0.405 . . . . 0.0 110.704 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD2' HG22 ' A' ' 49' ' ' THR . 25.2 t70 -105.1 115.7 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.21 -32.12 73.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.27 -173.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.97 85.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.783 0.325 . . . . 0.0 111.642 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.48 HG22 ' OD2' ' A' ' 46' ' ' ASP . 4.0 t -106.25 -1.96 22.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.159 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm 60.36 37.17 20.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.596 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 40.5 p -103.38 123.69 47.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.062 0.458 . . . . 0.0 112.155 -175.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' HD12 ' A' ' 5' ' ' LEU . 67.4 m-85 -94.38 111.97 23.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 166.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 m -113.87 122.61 47.56 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -97.53 103.54 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 174.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.636 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.2 m -87.07 96.52 10.32 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.676 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 41.9 tt0 -90.92 -30.91 16.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.081 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.41 -105.58 0.22 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.948 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.0 m 72.74 -54.94 0.69 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.467 0.707 . . . . 0.0 110.04 -174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -85.17 75.28 10.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 171.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -83.35 26.13 0.68 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -163.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 71.19 -67.73 0.24 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.165 0.586 . . . . 0.0 112.096 172.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -71.55 167.17 20.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.021 0.438 . . . . 0.0 110.926 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -126.52 149.13 49.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -91.7 -42.05 10.37 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 173.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.9 tpt -171.35 120.26 0.49 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.238 -1.347 . . . . 0.0 107.612 175.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.95 98.6 4.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.382 0.611 . . . . 0.0 111.351 -172.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -128.63 -48.32 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.408 175.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.77 18.37 8.54 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.183 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.4 33.17 6.21 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.465 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.17 100.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p -55.91 116.0 2.72 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.658 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -96.29 149.28 21.86 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.856 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.981 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.8 mm? -111.64 141.47 45.2 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.942 0.401 . . . . 0.0 110.943 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -104.97 104.78 14.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -93.88 126.13 46.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.275 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 12.2 t70 -112.91 158.35 20.32 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.513 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 89.2 m-20 61.96 75.88 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.748 0.655 . . . . 0.0 110.17 -177.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.59 ' CD2' HD21 ' A' ' 137' ' ' LEU . 1.3 mt -100.31 -172.73 2.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.997 0.903 . . . . 0.0 111.945 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.436 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.8 p -119.88 160.14 23.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.729 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -72.63 -3.05 22.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 0.0 111.985 -171.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 34.34 5.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.142 0.496 . . . . 0.0 111.281 -177.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.471 ' OG1' HD22 ' A' ' 78' ' ' LEU . 27.3 m -109.37 100.09 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.172 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.643 ' O ' ' HB ' ' A' ' 86' ' ' THR . 14.8 m -95.75 160.25 30.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.692 ' HA ' HD12 ' A' ' 102' ' ' ILE . 2.2 Cg_endo -43.65 -48.16 8.98 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.324 2.683 . . . . 0.0 114.034 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.39 -21.67 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.55 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.9 m -64.33 -58.07 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.048 177.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 102' ' ' ILE . 16.2 mt -71.4 -28.25 63.88 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.588 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.559 ' HB2' HG21 ' A' ' 100' ' ' VAL . 18.3 ttt180 -56.95 -42.04 79.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.66 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 30.2 ttp180 -75.16 -39.23 60.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.348 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 86' ' ' THR . 20.4 t -73.72 -45.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.808 -175.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.659 ' HE1' HD22 ' A' ' 87' ' ' LEU . 33.6 m-85 -74.44 -27.34 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -174.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.0 pt-20 -65.01 -13.75 58.64 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 111.008 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -62.46 -48.49 79.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.832 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -83.78 -38.93 20.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.786 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.521 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -149.38 171.91 29.48 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.794 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -80.83 97.77 7.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.354 0.597 . . . . 0.0 111.134 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.627 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 2.5 p -85.37 120.31 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.797 174.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.05 -28.7 30.39 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' HB3' ' HE ' ' A' ' 118' ' ' ARG . 33.0 t70 -159.83 160.69 34.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 88' ' ' ARG . 7.7 m -137.75 154.62 29.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.955 0.407 . . . . 0.0 110.517 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.461 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 65.7 t80 -137.93 89.33 2.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.75 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.88 HG12 ' HB1' ' A' ' 115' ' ' ALA . 56.5 mt -108.65 94.51 14.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.61 ' HA ' ' OE2' ' A' ' 15' ' ' GLU . 96.1 Cg_endo -90.47 151.81 4.39 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.581 2.188 . . . . 0.0 112.537 -177.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.511 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -71.26 158.08 37.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.526 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.7 140.66 58.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 4.9 tmt_? -94.59 -20.24 19.78 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -173.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -105.14 -33.18 8.35 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -171.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -131.82 91.26 2.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -174.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.796 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 42.4 tttm 60.02 -166.0 0.2 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.758 176.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.796 ' H ' ' HG2' ' A' ' 109' ' ' LYS . 13.0 mp0 -95.01 37.84 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.7 p -70.6 161.46 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.739 HH21 HG22 ' A' ' 102' ' ' ILE . 13.9 mmm180 -117.47 98.88 6.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.92 -33.52 4.03 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.927 -174.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -147.13 161.38 41.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.616 0.246 . . . . 0.0 110.462 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.88 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -150.29 159.09 44.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.002 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 97.3 m-85 -123.99 141.67 51.84 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.949 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.981 HG22 ' HB2' ' A' ' 73' ' ' LEU . 1.4 m -130.18 139.39 51.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HE ' ' HB3' ' A' ' 99' ' ' ASP . 15.1 ttp180 -122.64 109.94 14.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 111.587 -171.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.666 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 74.9 m-85 -93.01 169.78 10.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.265 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -65.68 -60.79 2.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.782 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 18.6 t70 -127.38 167.31 16.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.874 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -60.44 -24.81 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.644 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.782 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.4 ptp180 -56.54 -37.96 71.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.207 176.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.0 m-20 -79.51 -32.32 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.243 0.544 . . . . 0.0 110.023 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.411 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -75.96 -38.09 57.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.531 -173.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.512 ' O ' ' HE3' ' A' ' 129' ' ' MET . 40.5 mt-10 -64.84 -43.23 93.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 0.0 111.044 -177.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.82 -28.6 69.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.963 0.411 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.59 6.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.238 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.57 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -61.9 -34.79 76.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.706 -172.765 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.31 -40.68 50.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.397 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.918 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.665 ' HB3' HG21 ' A' ' 144' ' ' VAL . 27.6 tpp -82.3 -16.85 47.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -174.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -72.2 96.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 170.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.614 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 103.15 21.36 10.11 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -170.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.664 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.28 135.52 51.7 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 122.493 0.317 . . . . 0.0 110.55 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.711 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 22.8 t -95.82 116.6 37.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.203 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.734 ' HG ' HD21 ' A' ' 142' ' ' LEU . 0.2 OUTLIER -93.07 -5.33 50.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.551 177.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -169.5 -73.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.77 -174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.06 38.19 0.85 Allowed Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.711 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 10.3 tpp180 -159.7 136.06 8.98 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.784 -0.708 . . . . 0.0 109.872 -176.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 2.0 mp0 -82.93 112.23 19.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.734 HD21 ' HG ' ' A' ' 137' ' ' LEU . 1.8 mm? -56.57 145.22 28.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -103.54 83.03 2.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 171.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.665 HG21 ' HB3' ' A' ' 132' ' ' MET . 25.1 t -90.0 113.42 26.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.076 -173.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -108.66 158.27 17.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.071 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.3 tpp -77.94 121.39 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.22 109.03 20.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.509 . . . . 0.0 110.873 -177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -91.86 -178.4 5.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.359 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 75.1 t80 71.79 -81.24 0.04 OUTLIER 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.83 0.706 . . . . 0.0 110.527 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 73.68 159.68 5.99 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.642 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -129.15 106.19 17.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 O-C-N 122.69 -0.3 . . . . 0.0 110.417 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.64 166.12 25.18 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.994 2.462 . . . . 0.0 111.795 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.71 31.95 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.216 2.611 . . . . 0.0 113.281 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.1 -36.62 77.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.356 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 9.9 t -65.89 84.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.702 0.763 . . . . 0.0 111.235 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -154.46 13.04 0.42 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.573 173.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -149.28 160.02 43.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.69 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.245 0.833 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 173.377 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 83.7 mtp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -91.86 102.07 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.343 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 17' ' ' THR . 51.5 m-85 -96.81 134.1 40.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.338 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.868 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 2.9 tppp? -107.59 126.41 52.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 54.3 tp -98.82 122.94 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.162 174.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.577 HD13 ' HB3' ' A' ' 15' ' ' GLU . 49.9 mm -104.14 105.02 17.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.763 HD22 HD12 ' A' ' 12' ' ' LEU . 4.5 mp -89.78 111.16 22.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.427 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 9.0 t-20 -96.91 41.19 1.12 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.827 -177.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 151.07 31.59 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.251 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 9.3 mtmp? -72.71 -29.59 63.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.053 0.454 . . . . 0.0 110.087 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 m -97.0 -42.76 7.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.288 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.763 HD12 HD22 ' A' ' 7' ' ' LEU . 2.5 tm? -121.09 102.62 8.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.076 0.465 . . . . 0.0 110.104 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.5 ttmt -120.57 102.06 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.605 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.67 -174.07 21.36 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.587 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.868 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 1.1 pp20? -146.06 138.19 25.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.01 0.433 . . . . 0.0 110.902 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -150.48 173.2 14.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.183 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 24.2 p -125.73 167.42 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.529 . . . . 0.0 111.948 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.41 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 10.4 t -147.16 137.56 23.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.974 170.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -77.11 92.39 3.77 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.64 137.23 52.34 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.87 -19.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.546 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -146.4 158.92 43.95 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.697 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.013 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.2 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.0 m -60.1 -41.83 93.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.34 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.21 62.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.58 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.78 -29.76 70.95 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.588 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -60.3 -49.81 76.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.099 0.476 . . . . 0.0 110.909 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.0 -39.18 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.462 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.6 m-30 -63.82 -35.53 80.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.083 176.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -68.98 -37.39 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.7 -46.49 85.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.979 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' HD2' HD21 ' A' ' 7' ' ' LEU . 30.9 t80 -62.68 -51.8 65.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 -48.29 81.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.52 -40.83 98.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.249 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.87 -29.68 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.411 . . . . 0.0 110.809 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 23.0 m-80 -84.98 -18.27 35.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.588 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.42 5.49 51.98 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.52 -0.848 . . . . 0.0 113.497 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.98 120.41 50.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.312 0.577 . . . . 0.0 111.229 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -129.74 133.58 47.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.62 -162.02 13.81 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.095 -175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.8 110.52 8.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.208 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -75.57 99.36 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.212 0.53 . . . . 0.0 110.421 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.36 115.14 28.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.956 -176.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -108.39 121.85 45.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -89.84 115.68 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.92 -29.45 69.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -53.35 34.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.378 . . . . 0.0 111.688 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -91.75 -4.7 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.947 -175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 61.29 39.08 15.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.368 0.604 . . . . 0.0 109.882 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.699 HG22 ' HB3' ' A' ' 4' ' ' LYS . 15.2 p -113.0 127.21 56.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.097 -173.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -93.32 112.07 23.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.6 m -105.77 115.09 29.65 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.2 p -97.97 104.07 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 122.003 0.906 . . . . 0.0 109.356 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.427 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 26.1 m -86.03 103.43 14.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.932 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.4 126.7 26.21 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.359 0.6 . . . . 0.0 110.894 -176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.64 106.18 2.25 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -172.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.2 m -63.5 -28.56 70.04 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -116.87 77.15 1.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.729 0.775 . . . . 0.0 111.74 -177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -137.84 88.12 2.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.655 172.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -103.67 120.65 41.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.472 -171.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.8 m170 61.48 85.6 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.926 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -85.69 -28.74 24.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.605 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 m80 63.93 -169.73 0.19 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.499 -175.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.0 mtp -76.95 -44.52 31.05 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 169.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 t70 51.38 79.37 0.1 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 124.408 1.067 . . . . 0.0 111.562 173.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -82.55 103.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.532 0.682 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.412 ' HG2' ' HD3' ' A' ' 118' ' ' ARG . 28.0 tt0 -152.37 86.81 1.29 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.639 -177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.99 60.22 0.68 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.047 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -93.77 -166.17 1.46 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 125' ' ' ALA . 0.8 OUTLIER -49.11 105.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -174.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.686 ' H ' ' HB2' ' A' ' 148' ' ' ARG . 2.9 m -99.89 149.06 23.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.065 175.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.997 HD11 ' HB3' ' A' ' 129' ' ' MET . 2.9 mm? -110.47 136.33 49.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.838 0.351 . . . . 0.0 111.212 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 3.2 tppp? -99.85 115.77 30.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.859 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.16 127.95 57.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -133.77 166.66 22.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.316 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 51.3 m-80 65.69 25.51 11.5 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -168.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 82' ' ' THR . 41.0 tp -73.46 148.95 42.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.037 -173.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 p -82.62 163.28 21.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 111.982 -175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -78.4 -7.99 57.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.645 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 18.92 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 111.441 -176.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 HG22 HD13 ' A' ' 102' ' ' ILE . 61.4 m -80.95 126.16 31.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.015 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.747 ' O ' ' HB ' ' A' ' 86' ' ' THR . 39.8 m -106.39 157.23 35.46 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.687 ' HA ' HD12 ' A' ' 102' ' ' ILE . 53.5 Cg_exo -52.49 -39.63 73.92 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.455 2.103 . . . . 0.0 112.527 177.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 -38.07 77.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.349 0.595 . . . . 0.0 110.063 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.747 ' HB ' ' O ' ' A' ' 83' ' ' SER . 16.0 m -54.3 -57.34 11.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.249 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 91' ' ' PHE . 23.6 mt -73.68 -41.23 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.542 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -54.43 -46.98 73.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -54.36 -46.44 73.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 86' ' ' THR . 3.1 t -74.49 -51.5 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.557 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.599 ' HE2' HD22 ' A' ' 87' ' ' LEU . 46.1 m-85 -65.08 -32.87 74.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 11.7 pt-20 -66.52 -9.95 39.91 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.662 0.267 . . . . 0.0 111.689 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -67.84 -46.86 70.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.505 ' HE2' ' SD ' ' A' ' 132' ' ' MET . 17.3 m-85 -84.23 -45.29 13.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.986 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . -140.48 173.31 23.14 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.512 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -85.03 100.38 11.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.136 0.493 . . . . 0.0 110.416 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.73 126.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.341 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.6 -50.33 3.17 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.672 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -141.85 126.39 17.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.629 0.252 . . . . 0.0 110.845 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.03 143.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.58 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -127.01 104.25 7.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.851 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 84' ' ' PRO . 59.4 mt -114.46 100.66 53.39 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.905 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.46 109.08 1.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.475 2.117 . . . . 0.0 111.128 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.648 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 2.0 mmp_? -109.14 111.03 22.42 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.171 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.43 140.81 43.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.955 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.75 58.68 1.68 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 172.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -144.61 -41.59 0.25 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.113 172.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 t -108.77 -28.31 9.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.807 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -88.61 128.83 35.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -135.14 -37.11 0.8 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.073 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 m -98.55 105.74 17.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.601 0.239 . . . . 0.0 111.488 -175.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 61.41 -169.98 0.16 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.317 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -167.28 166.95 39.58 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.209 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -143.8 161.36 38.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.467 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -147.11 165.35 30.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 98.6 m-85 -124.97 142.15 51.67 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.445 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 73' ' ' LEU . 8.8 m -132.03 131.22 61.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.997 176.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.412 ' HD3' ' HG2' ' A' ' 68' ' ' GLU . 37.0 ttm180 -100.13 125.35 46.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.75 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 29.6 m-85 -105.77 168.27 9.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.29 0.567 . . . . 0.0 112.058 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.405 ' HB3' ' OD1' ' A' ' 124' ' ' ASP . 33.0 t-80 -61.23 -68.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.173 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.56 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 30.2 t70 -128.27 174.15 9.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.588 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.501 ' HA ' HG21 ' A' ' 71' ' ' THR . 48.9 tttm -59.63 -31.3 69.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.56 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 16.5 ptt180 -59.41 -37.86 79.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.975 0.417 . . . . 0.0 110.506 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 8.7 m-20 -73.16 -36.38 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 109.743 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 71' ' ' THR . . . -70.85 -38.66 73.19 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.844 -177.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.617 ' HA ' ' HG3' ' A' ' 129' ' ' MET . 43.9 mt-10 -69.16 -43.75 73.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.443 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -39.13 67.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.701 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.9 -52.37 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.01 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.997 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -63.94 -30.4 71.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.28 -173.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.16 -43.27 43.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.437 . . . . 0.0 110.147 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.59 -56.4 4.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.618 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.581 ' HB3' HG21 ' A' ' 144' ' ' VAL . 81.4 mmm -71.99 -12.22 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.044 -165.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.29 85.23 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.592 ' C ' ' HB2' ' A' ' 141' ' ' GLU . . . 117.4 27.74 2.54 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.821 -170.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -110.08 125.67 53.21 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 122.15 0.18 . . . . 0.0 111.212 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 11.0 t -88.3 112.91 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.987 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.601 ' HB3' HD21 ' A' ' 142' ' ' LEU . 1.0 OUTLIER -93.99 -8.89 38.66 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.132 0.491 . . . . 0.0 110.787 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -160.81 -76.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.004 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.71 2.71 2.5 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.643 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 17.2 tpp180 -125.32 134.76 52.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.736 -0.732 . . . . 0.0 110.326 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -86.04 109.71 19.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.7 mm? -58.88 151.52 21.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.098 -171.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.77 93.44 5.81 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.786 HG12 HD12 ' A' ' 73' ' ' LEU . 48.5 t -103.43 127.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.009 -170.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.472 ' O ' HD13 ' A' ' 73' ' ' LEU . 20.0 mt-30 -130.11 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.694 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.6 ttm -71.55 116.8 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -111.13 41.37 1.85 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.939 0.4 . . . . 0.0 111.342 -172.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . 0.686 ' HB2' ' H ' ' A' ' 72' ' ' SER . 1.4 tpt180 -157.83 168.24 27.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.667 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -61.48 129.35 40.75 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -86.77 31.88 4.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.037 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -173.61 127.76 0.48 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 122.616 0.367 . . . . 0.0 110.132 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 51.9 Cg_exo -54.82 128.02 28.66 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.761 2.308 . . . . 0.0 111.543 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 43.4 Cg_exo -56.96 -32.63 93.39 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.977 2.451 . . . . 0.0 113.233 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.545 ' HA ' ' NE2' ' A' ' 157' ' ' HIS . 33.8 m-20 -85.41 8.57 18.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -172.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 70.1 p -81.47 -37.86 27.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -91.42 14.12 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.545 ' NE2' ' HA ' ' A' ' 154' ' ' ASP . 23.8 p80 -146.32 132.82 19.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 171.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.699 -0.667 . . . . 0.0 109.658 -177.031 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.794 0.33 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -131.9 130.82 42.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.028 0.442 . . . . 0.0 110.213 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -112.45 150.41 31.23 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.796 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.034 ' HG2' HG22 ' A' ' 17' ' ' THR . 36.4 mtpt -115.05 161.04 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.046 0.45 . . . . 0.0 111.417 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 30' ' ' PHE . 60.4 tp -120.79 118.24 29.49 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.805 172.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.2 mm -98.42 107.18 19.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.957 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -90.2 103.0 15.72 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 76.9 m-20 -97.6 39.54 1.2 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.527 175.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.619 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -91.62 160.0 26.29 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.412 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' ' OE1' ' A' ' 56' ' ' GLU . 19.6 pttm -73.83 -29.44 62.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.468 176.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.5 p -86.39 -35.55 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.247 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.957 HD12 HD22 ' A' ' 7' ' ' LEU . 2.6 tm? -142.88 123.99 14.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.269 -177.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 7.2 tmtm? -123.0 97.1 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -150.66 -174.53 21.79 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.904 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.15 157.45 43.11 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 5' ' ' LEU . 9.0 t -167.35 164.44 15.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 175.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.034 HG22 ' HG2' ' A' ' 4' ' ' LYS . 70.8 p -134.47 161.86 33.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 -176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -154.49 141.37 19.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.294 170.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.45 84.88 7.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.466 0.651 . . . . 0.0 109.398 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.2 136.88 42.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.665 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.65 -14.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 17.0 t70 -143.74 150.61 38.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.566 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.85 91.46 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.357 0.41 . . . . 0.0 111.493 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.519 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -67.87 -31.5 71.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 22' ' ' ASP . 24.9 m -66.52 -40.55 89.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.762 176.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.58 -49.62 57.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.479 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 12.9 pt-20 -59.09 -37.74 77.84 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.2 -39.12 91.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 111.271 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -71.51 -39.11 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.189 0.519 . . . . 0.0 110.392 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HB3' HD22 ' A' ' 5' ' ' LEU . 20.3 m-30 -67.73 -32.85 73.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.905 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.26 -31.17 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -66.69 -38.57 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.934 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -72.09 -47.02 54.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.253 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.442 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -71.78 -26.21 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.866 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -68.04 -41.23 82.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.46 0.647 . . . . 0.0 109.66 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 42.3 m-80 -88.48 -3.36 58.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.881 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 30.56 62.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.635 -0.711 . . . . 0.0 113.324 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG21 ' HA3' ' A' ' 9' ' ' GLY . 4.1 p -110.41 113.49 44.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.384 0.611 . . . . 0.0 111.111 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB3' ' HD3' ' A' ' 143' ' ' ARG . 2.9 m-20 -117.52 97.14 5.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.89 175.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.38 -165.37 14.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.56 105.99 14.06 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -66.37 98.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -105.1 115.58 30.51 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.793 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -112.28 128.98 56.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.166 0.508 . . . . 0.0 111.052 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.31 116.81 29.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.74 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -75.05 -12.42 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.79 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.56 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -94.6 -2.1 52.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.046 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 58.19 48.37 12.91 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.347 0.594 . . . . 0.0 110.812 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.686 HG22 ' HB2' ' A' ' 4' ' ' LYS . 21.5 p -113.31 119.44 37.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.443 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.7 m-85 -90.24 127.08 36.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.2 m -121.72 128.37 51.71 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 120.555 0.216 . . . . 0.0 110.683 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -97.26 102.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -86.69 102.34 14.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.298 -0.865 . . . . 0.0 108.977 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.587 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 0.6 OUTLIER -110.59 112.16 23.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.265 -174.043 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -147.89 45.28 0.75 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.442 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 15.8 m -67.19 122.1 17.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.947 0.404 . . . . 0.0 111.098 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -130.99 24.9 4.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.393 0.616 . . . . 0.0 109.731 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.442 ' CE1' ' HB3' ' A' ' 58' ' ' SER . 34.1 p-80 -80.83 79.32 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.521 0.677 . . . . 0.0 109.974 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -151.02 17.43 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.612 -174.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -129.19 31.96 4.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.699 -0.8 . . . . 0.0 112.595 -175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -79.4 108.87 13.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 168.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.482 ' HD2' ' HG3' ' A' ' 65' ' ' MET . 3.7 t60 -67.71 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.242 -174.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.482 ' HG3' ' HD2' ' A' ' 64' ' ' HIS . 67.0 mtt -134.68 31.85 3.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.605 0.717 . . . . 0.0 109.226 174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' LYS . 32.6 t70 -81.95 102.66 11.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.622 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.596 HG12 ' HD3' ' A' ' 122' ' ' LYS . 29.3 m -128.93 0.49 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.372 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -99.85 143.02 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.758 -176.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.12 157.48 13.72 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.285 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 154' ' ' ASP . 3.2 mpp? -69.98 94.37 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.372 0.606 . . . . 0.0 109.98 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.569 ' HA ' ' HE1' ' A' ' 149' ' ' TYR . 14.8 m -72.55 131.18 42.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.63 -171.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -105.28 139.04 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.598 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.881 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.5 mm? -114.53 144.72 42.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.122 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.2 OUTLIER -105.94 116.06 31.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.734 173.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -103.1 119.34 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 173.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -124.92 -177.38 3.82 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.129 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.574 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 6.0 m120 62.04 24.09 14.3 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -170.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.696 HD11 HG21 ' A' ' 82' ' ' THR . 21.5 tp -61.64 148.27 43.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.688 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.413 ' OG1' HD11 ' A' ' 137' ' ' LEU . 1.0 OUTLIER -73.42 166.79 22.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.615 -179.438 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -96.02 25.47 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.236 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 33.07 0.55 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.696 HG21 HD11 ' A' ' 78' ' ' LEU . 1.3 m -89.98 129.13 36.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -113.77 141.39 26.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.462 0.172 . . . . 0.0 111.284 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HG3' ' HB ' ' A' ' 102' ' ' ILE . 16.5 Cg_exo -64.34 82.28 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.389 2.726 . . . . 0.0 111.89 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -179.22 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.846 HG21 HD23 ' A' ' 137' ' ' LEU . 1.3 m -54.92 -57.0 13.4 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.075 173.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 91' ' ' PHE . 17.0 mt -64.16 -39.32 93.75 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.29 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.683 ' HB2' HG21 ' A' ' 100' ' ' VAL . 49.2 ttp180 -54.29 -55.8 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -52.39 -44.53 65.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.13 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 86' ' ' THR . 2.7 t -74.76 -44.06 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.785 0.326 . . . . 0.0 111.858 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.599 ' HE2' HD22 ' A' ' 87' ' ' LEU . 52.5 m-85 -73.51 -37.43 65.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -175.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 12.5 pt-20 -63.92 -18.96 64.74 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 110.953 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 90' ' ' VAL . 55.8 tttp -63.22 -44.9 93.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.315 175.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -83.98 -31.87 25.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.073 -175.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -161.08 -178.48 35.09 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.103 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 96' ' ' ARG . 20.2 ttt180 -79.83 97.51 6.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 110.691 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.54 ' HB ' ' CE1' ' A' ' 119' ' ' PHE . 12.2 p -103.64 139.44 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.828 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.87 -60.29 0.65 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.281 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.42 136.63 47.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.683 HG21 ' HB2' ' A' ' 88' ' ' ARG . 9.7 m -124.15 93.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 122.119 0.961 . . . . 0.0 109.602 171.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -85.28 95.29 9.15 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.654 -173.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.52 HD11 ' HG ' ' A' ' 87' ' ' LEU . 32.8 mt -108.51 91.3 8.31 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.552 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 95.8 Cg_endo -85.11 -177.53 2.8 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.601 2.2 . . . . 0.0 112.249 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 105' ' ' ASP . 24.3 mtp180 -81.2 -54.7 5.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 176.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 104' ' ' ARG . 16.5 t70 172.61 90.03 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 173.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -78.47 150.41 33.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.42 -170.627 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.576 ' H ' ' HD3' ' A' ' 106' ' ' ARG . 53.3 m-85 72.73 159.86 0.22 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 114.673 -1.148 . . . . 0.0 109.96 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 108' ' ' THR . 10.1 t -80.44 98.36 7.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.853 0.835 . . . . 0.0 109.7 177.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -132.29 178.0 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.588 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.71 16.89 25.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.021 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.5 p -81.2 -172.44 3.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.297 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 31.87 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.317 -176.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.73 133.61 7.4 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.551 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.547 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 33.9 p90 -161.25 156.73 24.52 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -137.6 157.23 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.508 . . . . 0.0 112.219 -175.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -129.78 150.61 51.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.278 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.881 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.0 m -131.77 144.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.891 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -120.62 116.85 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 0.0 111.145 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.67 ' HB3' ' HB2' ' A' ' 124' ' ' ASP . 84.1 m-85 -98.32 170.51 8.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.193 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.85 -47.9 60.89 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.834 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.943 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 9.0 m-20 -134.78 -177.45 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 0.0 110.262 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.601 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 74.9 tttt -67.55 -28.37 67.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.048 176.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.943 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 6.0 ptm180 -53.25 -43.19 67.16 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 119' ' ' PHE . 11.7 m-20 -78.81 -27.8 44.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.036 -177.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 73' ' ' LEU . . . -78.35 -37.41 44.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.355 -175.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.607 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.59 -31.76 68.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 110.7 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.464 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -79.93 -53.22 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.801 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.607 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -68.76 -26.75 65.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.675 0.274 . . . . 0.0 111.366 -174.71 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.23 -38.07 56.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.279 0.561 . . . . 0.0 109.888 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.17 -49.76 16.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.754 0.788 . . . . 0.0 112.343 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 134' ' ' GLY . 80.2 mmm -90.07 10.42 24.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.294 -164.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.593 ' HA ' ' H ' ' A' ' 144' ' ' VAL . 3.1 p-10 -79.71 10.91 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.88 0.848 . . . . 0.0 109.952 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 132' ' ' MET . . . -167.28 56.79 0.23 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.126 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.635 ' C ' ' HA ' ' A' ' 141' ' ' GLU . . . -127.76 119.87 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.335 . . . . 0.0 111.443 -173.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 44.0 t -83.19 114.04 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.972 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.846 HD23 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.52 -19.64 30.85 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 -178.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 137' ' ' LEU . 13.9 t70 -170.29 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.063 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -131.61 -24.83 0.8 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.735 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.644 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 25.4 tpt180 -121.87 142.55 50.14 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.678 0.275 . . . . 0.0 111.399 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.635 ' HA ' ' C ' ' A' ' 135' ' ' ALA . 1.3 pm0 -77.94 106.93 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.189 165.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.8 mm? -53.29 145.06 14.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.836 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.437 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 26.8 tpt180 -97.76 84.39 3.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 173.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.593 ' H ' ' HA ' ' A' ' 133' ' ' ASP . 54.8 t -90.14 112.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.895 -176.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.818 HE21 ' HA ' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -119.13 150.04 40.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.476 -0.784 . . . . 0.0 108.935 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.59 ' HA ' HD13 ' A' ' 73' ' ' LEU . 44.8 ttm -64.01 116.88 6.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.63 169.25 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 111.843 -169.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -87.78 10.77 17.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.288 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.569 ' HE1' ' HA ' ' A' ' 71' ' ' THR . 91.3 m-85 69.0 113.17 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 O-C-N 124.022 0.826 . . . . 0.0 110.743 -175.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.68 -28.71 73.65 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.802 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -161.7 161.29 22.37 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 26.4 Cg_exo -63.59 111.37 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.28 1.986 . . . . 0.0 110.605 172.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 152' ' ' PRO . 41.7 Cg_endo -93.64 134.13 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.014 2.476 . . . . 0.0 113.656 -173.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.44 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 8.9 t70 -152.59 140.73 20.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 7.3 m -106.45 -2.02 22.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -170.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -139.1 -20.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.655 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -106.47 140.26 39.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.719 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.295 -0.859 . . . . 0.0 108.948 172.748 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -96.79 121.34 38.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.472 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.2 146.39 43.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.442 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.641 ' HG2' HG22 ' A' ' 51' ' ' THR . 1.2 tpmt? -118.18 123.04 44.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.426 -176.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 30' ' ' PHE . 65.8 tp -96.49 123.31 40.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.8 mm -112.18 108.15 24.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.869 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -88.6 105.02 17.38 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.185 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.0 t-20 -97.25 44.33 1.05 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -71.73 167.84 52.05 Favored Glycine 0 N--CA 1.437 -1.265 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.11 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -83.32 -19.87 35.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.635 0.731 . . . . 0.0 109.029 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.2 m -120.29 -48.8 2.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.651 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.869 HD12 HD22 ' A' ' 7' ' ' LEU . 1.5 tm? -100.51 110.48 22.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.155 0.503 . . . . 0.0 110.634 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 61.5 tttp -120.85 106.87 12.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.474 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.602 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.38 -175.7 21.96 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.092 -1.051 . . . . 0.0 113.053 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -133.48 152.2 51.88 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.53 0.332 . . . . 0.0 110.178 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 5' ' ' LEU . 14.3 t -164.74 153.04 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.11 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.439 ' CG2' ' HE3' ' A' ' 4' ' ' LYS . 20.4 p -126.83 165.64 18.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.508 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.7 t -157.62 145.45 18.79 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -85.0 85.17 7.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -102.25 146.29 28.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.99 -174.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -99.18 -31.1 3.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.58 15.65 14.58 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 119.557 -0.857 . . . . 0.0 112.827 -168.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.01 -56.41 0.36 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.073 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -61.9 -29.54 70.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.413 0.625 . . . . 0.0 109.829 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 m -62.64 -34.92 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.551 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.64 -53.1 14.73 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.117 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.4 pt-20 -59.06 -33.59 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.314 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -61.43 -45.03 96.03 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.78 -36.95 72.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.6 m-30 -64.68 -31.39 72.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.843 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.4 mttm -68.34 -36.72 79.67 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.066 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -64.73 -36.47 84.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.141 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' HD1' HD21 ' A' ' 7' ' ' LEU . 33.8 t80 -68.82 -51.38 41.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.04 -50.86 71.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.698 -177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.65 -38.3 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.435 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.89 -32.87 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 110.404 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.81 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 34.0 m-80 -86.37 -13.07 47.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.002 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.99 14.91 44.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.808 -0.71 . . . . 0.0 114.092 170.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.2 131.52 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.331 0.566 . . . . 0.0 111.983 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -133.09 134.09 43.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.53 -165.61 13.44 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.555 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.24 98.26 2.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -65.09 99.34 0.36 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.45 116.87 32.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.389 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 66.0 t80 -110.27 121.49 45.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.977 0.418 . . . . 0.0 111.051 -177.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -94.0 124.13 37.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.126 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.3 -17.54 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.147 -174.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.07 -36.37 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.782 0.325 . . . . 0.0 111.529 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.5 p -110.51 -11.01 14.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 63.89 34.27 11.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.073 0.463 . . . . 0.0 110.87 -173.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.641 HG22 ' HG2' ' A' ' 4' ' ' LYS . 21.5 p -92.86 118.61 31.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.321 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' HD12 ' A' ' 5' ' ' LEU . 58.5 m-85 -93.72 111.92 23.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 169.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 m -109.44 125.08 52.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.235 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -96.92 103.93 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.516 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 16.8 m -87.57 110.86 20.67 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.181 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -113.64 166.82 11.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 56' ' ' GLU . . . 89.49 -43.43 3.01 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.805 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 t -153.79 143.6 21.87 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -113.05 -5.5 13.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.563 0.697 . . . . 0.0 109.215 174.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 62' ' ' HIS . 19.6 t-80 -81.74 134.11 35.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.584 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -58.89 -47.82 83.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.73 0.3 . . . . 0.0 110.903 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 56.6 t-80 -75.16 111.35 10.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -158.57 -179.87 8.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 111.462 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -128.62 115.9 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.536 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 ptm -136.21 174.32 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.753 0.311 . . . . 0.0 110.883 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -99.24 125.53 44.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.794 HG21 ' HD3' ' A' ' 153' ' ' PRO . 27.2 m -112.05 156.72 13.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.201 0.524 . . . . 0.0 111.513 -174.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.12 -174.0 2.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.767 176.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.03 -126.39 7.45 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.099 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -62.37 151.55 36.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.769 0.318 . . . . 0.0 110.957 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.5 m -104.48 123.84 48.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -99.02 140.19 33.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.268 0.556 . . . . 0.0 111.1 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.749 ' HB2' HG22 ' A' ' 117' ' ' VAL . 2.8 mm? -108.92 149.35 29.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.932 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -115.06 126.07 54.28 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -111.33 138.37 40.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -139.55 177.17 8.12 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 50.1 m-80 63.25 27.39 15.49 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -170.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.487 HD11 HG21 ' A' ' 82' ' ' THR . 17.6 tp -71.99 148.16 46.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.36 -173.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 138' ' ' ASP . 4.2 p -79.66 6.68 10.07 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 76.5 m-85 70.24 -30.93 0.21 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.054 0.541 . . . . 0.0 112.279 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 79' ' ' THR . 14.7 ptm180 -77.37 -21.12 53.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.987 0.423 . . . . 0.0 110.419 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 78' ' ' LEU . 15.7 m -54.0 125.65 19.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.704 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.786 ' O ' ' HB ' ' A' ' 86' ' ' THR . 29.5 m -99.72 155.57 36.33 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.201 177.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.487 ' HA ' HD12 ' A' ' 102' ' ' ILE . 7.8 Cg_endo -50.68 -48.23 21.48 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.878 2.385 . . . . 0.0 113.059 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.24 -20.91 63.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.79 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.786 ' HB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m -59.76 -56.81 17.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.71 175.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.582 HD22 ' HE2' ' A' ' 91' ' ' PHE . 14.6 mt -69.42 -38.35 77.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.938 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.449 ' HB2' HG21 ' A' ' 100' ' ' VAL . 34.2 ttt180 -53.24 -50.22 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.909 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -55.23 -46.59 75.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.119 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 86' ' ' THR . 2.8 t -74.43 -48.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 111.389 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.582 ' HE2' HD22 ' A' ' 87' ' ' LEU . 24.3 m-85 -64.14 -38.54 91.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.191 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.42 -10.69 12.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -73.73 -36.32 65.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.548 176.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.443 ' HE2' ' HE1' ' A' ' 132' ' ' MET . 49.3 m-85 -84.02 -36.63 22.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.113 -174.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.42 -178.4 31.44 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -88.19 95.39 10.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.585 0.692 . . . . 0.0 111.043 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 7.6 p -85.86 139.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.515 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.68 -13.04 7.55 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.053 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -153.79 146.45 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.996 0.398 . . . . 0.0 110.484 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 88' ' ' ARG . 14.3 m -141.5 139.9 31.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.079 0.466 . . . . 0.0 110.646 175.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -133.67 112.8 11.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.55 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.757 HG12 ' HB1' ' A' ' 115' ' ' ALA . 40.2 mt -119.24 96.33 49.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.846 0.355 . . . . 0.0 111.403 -176.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 115' ' ' ALA . 87.0 Cg_endo -82.92 81.74 2.33 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.844 2.363 . . . . 0.0 110.59 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 80' ' ' TYR . 6.4 ppt_? -95.6 2.15 54.04 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.675 -173.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -96.56 162.69 13.35 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.412 ' HD3' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -93.47 137.29 32.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.891 0.377 . . . . 0.0 110.569 -176.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -142.98 -175.43 4.51 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.139 177.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.5 p -51.51 -64.48 0.8 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -171.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.418 ' HG3' ' HG2' ' A' ' 110' ' ' GLU . 17.1 pttp -135.28 -158.13 0.85 Allowed 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 -178.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 109' ' ' LYS . 9.3 mm-40 70.96 19.28 5.74 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.646 0.591 . . . . 0.0 110.711 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.5 m 65.77 -165.28 0.23 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -167.92 158.48 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -172.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.31 51.54 51.71 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.906 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.41 ' HE2' ' CE2' ' A' ' 116' ' ' PHE . 28.9 p90 -149.39 167.16 26.93 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.757 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -148.74 162.21 40.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.844 0.354 . . . . 0.0 111.331 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.41 ' CE2' ' HE2' ' A' ' 114' ' ' PHE . 57.2 m-85 -124.05 140.22 53.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.088 175.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 73' ' ' LEU . 5.3 m -129.79 137.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.217 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 153' ' ' PRO . 30.7 ttm180 -118.75 117.18 28.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.993 0.425 . . . . 0.0 111.554 -172.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.75 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 28.7 m-85 -101.83 168.43 9.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.929 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -62.55 -66.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.722 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.529 ' HB2' ' HG2' ' A' ' 123' ' ' ARG . 5.6 m-20 -119.28 -179.21 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.375 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -69.76 -28.3 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.529 ' HG2' ' HB2' ' A' ' 121' ' ' ASP . 27.4 ptt85 -57.61 -37.54 73.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.75 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 22.4 m-20 -75.03 -35.13 61.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.337 0.589 . . . . 0.0 109.974 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.578 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -74.56 -36.82 63.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.099 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.509 ' O ' ' HE3' ' A' ' 129' ' ' MET . 51.4 mm-40 -58.46 -54.3 48.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.28 -36.03 70.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.138 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.444 ' HB1' ' HD1' ' A' ' 91' ' ' PHE . . . -80.2 -53.13 6.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.428 -172.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.635 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.78 -34.99 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.638 0.256 . . . . 0.0 110.617 -176.28 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.87 -41.95 86.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.198 0.523 . . . . 0.0 110.167 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.92 -46.03 46.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.217 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.662 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 34.1 tpp -80.35 -16.9 53.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.579 -173.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.7 89.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.542 ' HA2' ' HB2' ' A' ' 141' ' ' GLU . . . 110.07 15.84 11.26 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.43 -171.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.671 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -99.3 128.47 45.43 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 14.1 t -93.02 103.78 15.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.873 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 138' ' ' ASP . 0.0 OUTLIER -84.12 -22.62 31.02 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.673 ' N ' HD13 ' A' ' 137' ' ' LEU . 34.1 t70 172.7 98.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.188 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.62 7.87 36.72 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.666 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.637 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 13.7 tpp180 -157.34 134.31 10.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.663 0.232 . . . . 0.0 110.916 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.671 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -88.06 115.77 25.77 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.379 0.609 . . . . 0.0 110.111 167.473 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.0 mm? -63.51 153.93 34.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.454 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.516 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 72.3 ttt180 -103.38 110.4 22.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.574 HG21 ' CG ' ' A' ' 132' ' ' MET . 33.6 t -123.77 111.79 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.161 0.505 . . . . 0.0 110.681 -172.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -130.6 177.06 7.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.484 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.7 mmt -69.1 138.69 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.47 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.932 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . . . -128.14 116.23 19.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.101 0.477 . . . . 0.0 111.549 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -110.09 -36.69 5.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 172.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 151' ' ' ARG . 42.2 t80 72.56 -57.76 0.62 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.725 174.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.06 13.11 2.47 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.119 -177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.48 ' HG2' ' CD2' ' A' ' 149' ' ' TYR . 35.5 ptt85 -146.42 164.33 25.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.46 ' HA ' HG21 ' A' ' 67' ' ' VAL . 53.6 Cg_exo -54.68 154.68 19.72 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.423 2.082 . . . . 0.0 111.937 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.794 ' HD3' HG21 ' A' ' 67' ' ' VAL . 79.6 Cg_exo -49.06 -44.23 33.56 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.4 2.733 . . . . 0.0 113.066 -175.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.482 ' CG ' ' HD1' ' A' ' 156' ' ' HIS . 16.2 t70 -162.54 149.77 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 27.6 p -111.88 11.82 20.8 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . 0.482 ' HD1' ' CG ' ' A' ' 154' ' ' ASP . 3.7 p-80 -121.48 -51.13 2.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.887 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.434 ' N ' ' CG ' ' A' ' 156' ' ' HIS . 58.7 m170 42.94 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.349 1.06 . . . . 0.0 113.109 -173.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.27 -179.461 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 tpp . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.89 0.376 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -77.65 110.07 12.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.889 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 17' ' ' THR . 32.3 m-85 -106.91 136.21 47.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.865 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.661 ' HB3' HG22 ' A' ' 51' ' ' THR . 30.5 ttmt -108.84 143.08 38.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.904 0.383 . . . . 0.0 111.234 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 64.2 tp -109.0 118.92 38.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.066 173.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 15' ' ' GLU . 47.8 mm -91.26 108.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.443 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.722 ' HB2' ' H ' ' A' ' 14' ' ' GLY . 9.7 mt -85.84 101.1 12.53 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.48 45.84 1.04 Allowed 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.447 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -86.84 -164.94 40.6 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 114.931 -1.031 . . . . 0.0 113.533 -170.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -73.14 -64.39 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -109.88 16.96 21.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.238 0.542 . . . . 0.0 110.566 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD21 HD13 ' A' ' 7' ' ' LEU . 54.9 tp -137.98 117.35 12.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.789 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 21.3 ttpp -136.66 92.16 2.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.722 ' H ' ' HB2' ' A' ' 7' ' ' LEU . . . -149.74 179.88 26.14 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.035 -175.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' A' ' 6' ' ' ILE . 52.5 mt-10 -131.35 139.31 49.49 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -150.92 150.12 30.46 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 4' ' ' LYS . 62.9 p -125.83 156.57 39.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.813 0.34 . . . . 0.0 110.824 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 t -143.68 152.27 41.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.381 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -80.48 90.41 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.242 0.544 . . . . 0.0 110.19 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 135.63 43.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.915 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 m -77.55 -24.08 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.876 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -152.59 158.99 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.18 73.61 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.235 0.334 . . . . 0.0 111.382 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.75 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.6 m -73.93 -41.06 62.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.919 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -48.04 80.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.244 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.5 pt-20 -60.97 -36.61 79.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.768 -176.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.59 -42.68 99.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.988 0.423 . . . . 0.0 111.016 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.62 -42.01 83.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.271 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 5' ' ' LEU . 22.5 m-30 -64.07 -36.12 82.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.229 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 98.5 mttt -71.54 -35.02 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.207 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.0 -43.5 95.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.082 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -68.88 -45.21 71.56 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.76 94.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.228 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -64.45 -35.78 82.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.78 -42.24 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.987 0.423 . . . . 0.0 110.62 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' CB ' HD22 ' A' ' 12' ' ' LEU . 27.7 m-80 -78.49 -16.16 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.295 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.64 35.72 15.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.958 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' HA3' ' A' ' 9' ' ' GLY . 3.5 p -114.61 110.75 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.594 0.711 . . . . 0.0 110.867 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -120.67 96.6 5.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.192 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.499 ' HA3' ' HB2' ' A' ' 56' ' ' GLU . . . -123.86 -168.83 13.04 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.341 -176.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 55' ' ' THR . 36.0 tt0 -66.89 114.12 5.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 58.9 m95 -78.99 106.58 11.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 111.182 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.44 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 12.2 p -115.72 149.6 38.17 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.395 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -136.0 123.8 22.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.0 110.293 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 8.6 m-20 -89.44 117.91 28.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.952 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.09 150.38 48.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.997 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.59 -42.1 0.46 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.932 0.893 . . . . 0.0 112.224 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 p -85.54 -15.28 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.602 0.239 . . . . 0.0 111.384 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 64.84 31.86 11.3 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.416 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 4' ' ' LYS . 25.4 p -107.98 123.87 49.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -94.1 146.44 23.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.44 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 70.9 m -137.11 125.98 24.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.565 0.221 . . . . 0.0 110.785 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.05 104.77 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.174 0.512 . . . . 0.0 110.123 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' GLU . 41.1 m -88.78 101.37 13.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB2' ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -131.96 98.22 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.543 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.09 37.8 93.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.662 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.414 ' OG ' HG23 ' A' ' 55' ' ' THR . 19.0 m -64.05 -28.5 69.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.949 0.404 . . . . 0.0 111.113 -176.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -87.95 92.99 9.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -82.6 23.52 0.78 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.752 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -81.0 43.32 0.69 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.5 0.667 . . . . 0.0 110.271 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.445 ' HD2' ' SD ' ' A' ' 65' ' ' MET . 27.9 p-80 -147.35 107.13 3.96 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -126.19 -173.56 2.89 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.535 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 68.17 27.36 6.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.495 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.445 ' SD ' ' HD2' ' A' ' 62' ' ' HIS . 85.5 mtp -77.89 174.98 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.192 178.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 10.6 p-10 -71.25 133.02 45.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 66' ' ' ASP . 85.6 t 74.95 -43.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.761 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -71.02 117.64 12.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.226 0.536 . . . . 0.0 111.382 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.96 -168.97 11.48 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 173.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.408 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -73.17 149.13 43.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.308 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.593 ' HB ' ' HB2' ' A' ' 125' ' ' ALA . 0.8 OUTLIER -57.11 98.22 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.495 0.664 . . . . 0.0 112.157 -172.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -103.26 135.61 44.57 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.44 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.934 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -100.28 144.41 29.33 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.434 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 1.0 OUTLIER -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 176.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 143' ' ' ARG . 0.7 OUTLIER -104.36 131.14 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.91 175.01 9.96 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 18.3 m-80 60.45 26.1 15.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 109.276 -168.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 HG21 ' A' ' 82' ' ' THR . 24.2 tp -69.49 149.05 48.69 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.971 -172.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 81' ' ' ARG . 33.6 p -88.96 147.62 24.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.42 30.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -173.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HD2' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -135.31 16.67 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 109.914 173.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.557 HG21 HD11 ' A' ' 78' ' ' LEU . 34.1 m -86.68 110.5 19.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.289 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.734 ' O ' ' HB ' ' A' ' 86' ' ' THR . 20.3 p -86.2 154.43 57.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.706 ' HA ' HD12 ' A' ' 102' ' ' ILE . 6.3 Cg_endo -51.35 -43.84 46.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.868 2.379 . . . . 0.0 112.812 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.31 -28.94 68.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.49 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.734 ' HB ' ' O ' ' A' ' 83' ' ' SER . 1.2 m -54.86 -57.33 12.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.23 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 ' HE1' ' A' ' 91' ' ' PHE . 14.2 mt -69.58 -31.81 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -176.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -55.23 -55.04 35.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.164 174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.83 -41.29 97.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.123 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 86' ' ' THR . 5.2 t -73.97 -49.06 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.755 -176.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 28.8 m-85 -70.79 -31.3 68.02 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.6 -5.84 13.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.315 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.41 -47.33 86.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.114 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' HB3' ' OD2' ' A' ' 127' ' ' ASP . 79.4 m-85 -84.57 -53.27 5.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.13 -174.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.24 -174.17 13.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 0.0 112.33 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -89.17 95.35 10.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.403 0.62 . . . . 0.0 110.948 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 5.6 p -88.37 126.32 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.126 177.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.65 -45.29 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.012 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -159.18 174.26 15.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.56 171.37 17.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.271 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.668 ' HB3' ' HB2' ' A' ' 116' ' ' PHE . 31.3 t80 -131.61 82.01 2.01 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.322 0.582 . . . . 0.0 110.224 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 84' ' ' PRO . 21.4 mt -114.01 87.57 13.11 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 170.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -87.54 163.57 8.0 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.772 2.314 . . . . 0.0 113.928 -168.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -89.38 22.25 3.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.933 174.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.78 -20.24 66.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.2 171.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.784 ' HG2' ' HB3' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -82.19 108.67 15.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.532 173.68 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -165.24 -65.14 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.305 173.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.1 t -98.45 -26.73 14.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -76.26 -72.79 0.31 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.421 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.784 ' HB3' ' HG2' ' A' ' 106' ' ' ARG . 7.0 pt-20 35.39 -123.02 0.13 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.132 0.895 . . . . 0.0 111.976 -175.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.5 m 73.15 -41.06 0.49 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.542 0.737 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 112' ' ' ARG . 21.2 mmt180 -121.49 124.49 44.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.333 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.46 106.32 2.81 Favored Glycine 0 N--CA 1.442 -0.925 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -141.38 151.11 43.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.797 0.332 . . . . 0.0 110.988 -177.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.617 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -152.85 162.76 40.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.688 175.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.668 ' HB2' ' HB3' ' A' ' 101' ' ' TYR . 92.2 m-85 -130.28 155.33 46.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.934 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.9 m -134.93 139.92 46.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 118' ' ' ARG . 24.6 ttt180 -111.47 110.32 20.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.76 0.314 . . . . 0.0 111.757 -172.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.797 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 34.3 m-85 -103.12 164.2 11.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -67.81 -69.42 0.32 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.583 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.601 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 15.1 t70 -115.21 167.96 10.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.975 -174.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.752 ' HG2' ' HG3' ' A' ' 126' ' ' GLU . 60.8 tttp -56.28 -32.07 64.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.601 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 6.7 ptm180 -54.15 -42.47 69.61 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.198 0.523 . . . . 0.0 111.239 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.797 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 18.9 m-20 -79.61 -36.04 38.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.377 0.608 . . . . 0.0 109.978 -175.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.593 ' HB2' ' HB ' ' A' ' 71' ' ' THR . . . -74.26 -40.16 62.52 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.896 -175.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.752 ' HG3' ' HG2' ' A' ' 122' ' ' LYS . 1.7 mm-40 -76.37 -36.16 58.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.448 -175.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 94' ' ' TYR . 2.3 t70 -59.4 -39.36 83.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.771 0.796 . . . . 0.0 109.312 176.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.31 -51.28 9.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.353 -1.294 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.728 ' HB3' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.76 -42.5 84.16 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 111.013 -177.269 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.511 ' HB2' ' HE1' ' A' ' 129' ' ' MET . 26.6 t70 -66.28 -42.62 88.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.18 62.16 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.238 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.591 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 26.0 tpp -86.28 -14.8 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.278 -174.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.19 87.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 171.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.67 ' HA2' ' HB3' ' A' ' 141' ' ' GLU . . . 114.96 26.43 3.55 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.186 -170.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -111.97 134.95 53.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.402 0.281 . . . . 0.0 110.954 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 16.0 t -97.99 105.72 17.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.111 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.572 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -87.82 -8.46 55.89 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.221 179.078 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.495 ' N ' HD13 ' A' ' 137' ' ' LEU . 3.6 t70 -159.58 -76.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.17 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.41 24.89 1.86 Allowed Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.597 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 12.5 tpp180 -147.05 130.93 17.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.844 -0.678 . . . . 0.0 110.084 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.673 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 1.7 mp0 -76.67 106.32 8.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 167.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 137' ' ' LEU . 1.6 mm? -56.47 146.89 23.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 74.5 ttt180 -95.94 107.78 20.09 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 32.6 t -118.15 113.1 41.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.449 0.642 . . . . 0.0 110.63 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.37 170.51 13.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.19 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.2 tpp -72.46 118.83 15.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . . . -91.53 105.28 17.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.369 0.604 . . . . 0.0 110.964 -176.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -121.56 -17.16 7.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.97 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -134.18 176.27 8.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.529 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 88.45 -61.72 3.85 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 152' ' ' PRO . 15.5 mmm-85 -133.1 91.58 27.83 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.959 0.409 . . . . 0.0 110.064 174.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 151' ' ' ARG . 37.4 Cg_endo -65.53 162.94 31.84 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 123.093 2.529 . . . . 0.0 111.489 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.18 105.7 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.763 2.309 . . . . 0.0 112.212 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -82.71 -83.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 32.9 m 77.4 -1.59 2.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.394 165.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -91.05 -23.02 20.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 168.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -150.42 112.05 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 162.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.15 -172.309 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.658 0.266 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.514 HE21 ' CB ' ' A' ' 17' ' ' THR . 41.8 tp60 -83.25 109.76 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' THR . 5.4 m-85 -99.31 131.53 45.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.622 -177.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HB3' HG22 ' A' ' 51' ' ' THR . 17.1 ttmt -105.48 134.28 48.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.186 0.517 . . . . 0.0 111.557 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 30' ' ' PHE . 62.1 tp -102.43 123.92 47.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.028 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.459 HD13 ' HG3' ' A' ' 15' ' ' GLU . 46.0 mm -102.95 106.69 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.547 174.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.651 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.0 mp -90.85 104.46 17.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.008 0.433 . . . . 0.0 109.926 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.636 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 11.4 t-20 -94.84 43.13 1.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.103 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.808 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -71.97 152.43 48.7 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.719 -175.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -75.63 -28.95 59.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -96.41 -39.34 9.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.287 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.56 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 3.0 tm? -133.8 107.93 8.18 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 111.183 -175.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 47.1 mtmt -93.68 125.08 38.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 168.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.42 164.5 29.03 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.938 -1.125 . . . . 0.0 113.147 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HE2' ' A' ' 4' ' ' LYS . 30.7 tt0 -147.92 122.94 10.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -161.35 166.11 27.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.541 0.21 . . . . 0.0 110.644 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 4' ' ' LYS . 55.1 p -131.25 161.09 33.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.278 0.561 . . . . 0.0 111.755 -176.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -142.24 147.37 36.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.766 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.47 94.69 7.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -99.07 128.76 45.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.386 -172.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.03 -26.44 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.357 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -146.69 155.1 42.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.202 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.01 74.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . . . -69.31 -33.64 73.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.432 . . . . 0.0 110.407 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 m -67.84 -39.4 83.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.778 174.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.46 -52.6 57.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.127 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 pt-20 -59.82 -34.61 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.264 -177.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -60.44 -46.06 91.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 25' ' ' THR . 32.4 t -71.23 -38.13 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.21 0.529 . . . . 0.0 110.356 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.67 -30.31 71.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.403 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 97.3 mttt -74.26 -23.92 59.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -70.06 -37.3 75.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 0.0 109.808 174.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' HD1' HD21 ' A' ' 7' ' ' LEU . 27.5 t80 -73.43 -45.94 51.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.545 176.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -60.18 -53.49 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.15 -34.45 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.489 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.97 -40.64 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 110.771 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.56 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 42.6 m-80 -87.16 -11.38 50.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.339 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 -6.05 74.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.948 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG23 ' HG3' ' A' ' 56' ' ' GLU . 2.0 p -95.82 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.222 0.534 . . . . 0.0 111.647 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.4 91.86 3.33 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.9 -151.7 19.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.841 -173.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.53 107.31 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.62 -0.29 . . . . 0.0 110.295 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -78.16 105.55 9.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.743 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 53' ' ' THR . 47.6 p -112.34 149.31 32.61 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -132.04 128.32 38.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -89.45 124.09 34.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.556 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -85.68 -8.91 57.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.09 0.472 . . . . 0.0 110.238 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.1 -60.28 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -92.57 -6.45 49.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.265 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.82 39.17 20.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.415 0.626 . . . . 0.0 110.459 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 4' ' ' LYS . 10.6 p -104.84 131.85 51.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.898 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HD1' ' HE2' ' A' ' 30' ' ' PHE . 45.2 m-85 -95.0 145.17 25.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' OG1' ' A' ' 44' ' ' THR . 28.1 m -134.39 126.43 29.56 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.651 HG23 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -103.08 103.15 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 170.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.636 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 57.6 m -85.14 96.01 9.32 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.808 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 3.5 tm-20 -83.92 120.05 25.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -176.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 135.06 108.19 0.96 Allowed Glycine 0 N--CA 1.44 -1.078 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -175.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -50.77 125.93 14.52 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.804 0.442 . . . . 0.0 111.419 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.74 109.53 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.775 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -91.08 101.66 14.41 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' HB2' ' SD ' ' A' ' 65' ' ' MET . 20.7 p-80 -90.1 105.65 17.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.635 0.731 . . . . 0.0 111.181 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -145.7 105.14 3.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.065 175.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 72.48 -42.71 0.54 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.011 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -115.22 123.98 50.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.414 ' SD ' ' HB2' ' A' ' 61' ' ' HIS . 26.5 ptm -168.73 -179.53 3.81 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.623 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t70 70.46 138.93 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.885 0.741 . . . . 0.0 111.389 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 m -67.75 105.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.543 0.687 . . . . 0.0 111.343 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -76.59 -24.19 53.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.44 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.72 -52.09 0.39 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.821 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.602 ' HB3' ' HE ' ' A' ' 118' ' ' ARG . 22.9 mtt 48.8 55.35 9.29 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.474 0.654 . . . . 0.0 110.725 -173.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 m -61.0 105.67 0.5 Allowed 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.91 -174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 m -87.73 150.56 23.52 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.351 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.882 ' HB2' HG22 ' A' ' 117' ' ' VAL . 3.2 mm? -116.3 141.66 47.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.874 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -100.33 113.21 25.75 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.665 HG23 HD11 ' A' ' 78' ' ' LEU . 2.9 m -107.53 123.35 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 172.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -117.39 165.96 12.89 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.787 -170.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.417 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.9 OUTLIER 64.31 43.52 4.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.691 177.052 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 HG23 ' A' ' 75' ' ' VAL . 7.2 mp -75.71 166.02 24.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 111.623 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 81' ' ' ARG . 29.9 p -94.57 11.37 31.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.177 -171.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 72.43 -37.27 0.38 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.428 0.691 . . . . 0.0 111.784 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 79' ' ' THR . 11.4 ptm180 -71.07 -15.94 62.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.594 ' HB ' HD23 ' A' ' 78' ' ' LEU . 23.8 m -67.3 113.78 5.49 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.205 176.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.578 ' O ' ' HB ' ' A' ' 86' ' ' THR . 35.0 m -93.67 153.38 41.17 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.39 -175.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.12 11.74 0.15 Allowed 'Trans proline' 0 N--CA 1.48 0.705 0 C-N-CA 123.572 2.848 . . . . 0.0 114.77 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.43 -27.3 8.32 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 168.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.1 m -52.0 -57.1 10.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.277 175.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 102' ' ' ILE . 16.7 mt -66.12 -31.59 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.419 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.539 ' HG2' HG13 ' A' ' 100' ' ' VAL . 49.2 mtm180 -59.45 -53.04 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -56.82 -45.23 82.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.228 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 86' ' ' THR . 2.3 t -74.79 -51.05 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.82 0.343 . . . . 0.0 111.695 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.654 ' CZ ' ' HG2' ' A' ' 132' ' ' MET . 31.4 m-85 -67.94 -33.38 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -173.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 9.1 pt-20 -59.88 -18.88 47.91 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.743 0.306 . . . . 0.0 111.776 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -37.95 86.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.242 0.544 . . . . 0.0 110.445 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -85.22 -34.59 21.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.768 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.452 ' HA3' ' HB3' ' A' ' 124' ' ' ASP . . . -162.54 179.45 37.83 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -81.66 97.52 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.486 0.643 . . . . 0.0 110.879 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' A' ' 119' ' ' PHE . 4.6 p -87.37 131.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 175.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.94 -44.58 5.97 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.486 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -162.78 146.17 11.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.539 HG13 ' HG2' ' A' ' 88' ' ' ARG . 5.4 m -123.27 144.99 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -119.88 112.12 18.81 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.733 HD11 ' HG ' ' A' ' 87' ' ' LEU . 37.4 mt -114.99 93.17 33.65 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.941 0.4 . . . . 0.0 110.219 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 114' ' ' PHE . 91.0 Cg_endo -80.69 135.58 10.34 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.661 2.241 . . . . 0.0 112.533 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -130.03 -46.95 1.12 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.723 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HB3' ' H ' ' A' ' 106' ' ' ARG . 1.0 OUTLIER 56.89 -155.23 0.32 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.995 170.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HG2' ' H ' ' A' ' 107' ' ' TYR . 3.4 ttm180 -161.62 -165.25 1.25 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -175.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.499 ' H ' ' HG2' ' A' ' 106' ' ' ARG . 50.0 m-85 69.28 -165.8 0.18 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.658 0.599 . . . . 0.0 111.1 174.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -100.01 -29.65 12.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -171.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -74.37 -70.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.705 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -114.14 102.1 9.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.797 0.332 . . . . 0.0 111.55 -174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -159.41 95.76 1.25 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.699 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 162.06 40.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.53 178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.62 104.33 3.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.99 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.548 ' O ' ' HD2' ' A' ' 103' ' ' PRO . 28.6 p90 -159.51 173.12 16.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.505 ' HB1' HG12 ' A' ' 102' ' ' ILE . . . -160.82 167.25 27.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.205 0.526 . . . . 0.0 111.74 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.445 ' HE2' ' HE2' ' A' ' 114' ' ' PHE . 97.2 m-85 -130.5 145.68 51.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.882 HG22 ' HB2' ' A' ' 73' ' ' LEU . 4.4 m -126.88 127.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.602 ' HE ' ' HB3' ' A' ' 70' ' ' MET . 14.0 ttt180 -108.61 109.83 21.14 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.051 -172.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.515 ' HD2' ' HB3' ' A' ' 124' ' ' ASP . 39.5 m-85 -94.15 168.77 10.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.542 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -64.69 -49.98 68.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.767 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.751 ' HB3' ' HG2' ' A' ' 123' ' ' ARG . 23.7 t70 -141.16 169.31 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.164 -174.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -61.82 -27.49 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.43 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.751 ' HG2' ' HB3' ' A' ' 121' ' ' ASP . 8.8 ptp180 -56.82 -41.49 77.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.944 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 119' ' ' PHE . 13.0 m-20 -79.78 -33.16 40.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.41 0.624 . . . . 0.0 110.133 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' CB ' HD21 ' A' ' 73' ' ' LEU . . . -72.82 -33.4 66.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.358 -173.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.594 ' O ' ' HE3' ' A' ' 129' ' ' MET . 42.9 mt-10 -60.77 -54.61 43.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.243 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -61.99 -27.31 68.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.414 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 91' ' ' PHE . . . -80.48 -53.01 6.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.67 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.594 ' HE3' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -66.94 -29.81 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 111.078 -175.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.413 ' HB2' ' HE3' ' A' ' 129' ' ' MET . 18.5 t70 -72.64 -43.79 62.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.491 . . . . 0.0 109.941 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.78 -49.66 24.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.135 -174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.78 ' HB3' HG21 ' A' ' 144' ' ' VAL . 31.1 tpp -79.14 -11.8 59.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.807 -172.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.9 95.75 2.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.583 ' HA2' ' OE1' ' A' ' 141' ' ' GLU . . . 100.63 24.92 8.95 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.352 -171.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.684 ' O ' ' HA ' ' A' ' 141' ' ' GLU . . . -116.57 131.89 56.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 122.709 0.404 . . . . 0.0 111.2 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.679 ' HA ' ' O ' ' A' ' 140' ' ' ARG . 18.4 t -86.99 114.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.24 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -84.46 -18.62 35.31 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.354 178.166 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.535 ' HB2' HD22 ' A' ' 137' ' ' LEU . 9.8 t70 -160.6 -73.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.801 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -138.18 20.94 3.16 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.679 ' O ' ' HA ' ' A' ' 136' ' ' VAL . 14.4 tpp180 -146.53 130.75 17.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.832 -0.684 . . . . 0.0 110.191 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.684 ' HA ' ' O ' ' A' ' 135' ' ' ALA . 0.2 OUTLIER -76.8 120.47 22.0 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 164.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 137' ' ' LEU . 2.2 mm? -69.03 154.42 42.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.029 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.54 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -106.37 102.65 12.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 171.197 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.78 HG21 ' HB3' ' A' ' 132' ' ' MET . 11.2 t -111.52 113.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.486 . . . . 0.0 111.071 -171.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -129.54 162.71 27.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.125 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.568 ' O ' ' HD2' ' A' ' 153' ' ' PRO . 0.1 OUTLIER -58.68 125.57 23.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 111.044 178.509 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.54 16.53 16.56 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.016 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -56.17 118.81 5.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.436 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -62.21 -16.61 54.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -60.83 -39.41 96.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.815 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -167.67 95.0 0.64 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 121.008 0.433 . . . . 0.0 110.477 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -81.65 115.98 2.85 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.871 2.381 . . . . 0.0 111.728 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 146' ' ' MET . 54.1 Cg_exo -52.63 -60.24 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.679 2.253 . . . . 0.0 111.823 177.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.8 t0 51.87 86.08 0.04 OUTLIER 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.965 0.791 . . . . 0.0 110.792 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 14.8 m -77.25 -12.81 59.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.259 -0.882 . . . . 0.0 113.246 -165.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -77.69 -2.29 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.083 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -81.78 108.15 15.08 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.394 -177.831 . . . . . . . . 0 0 . 1 stop_ save_