data_2fe0_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 2fe0 _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 ' 14' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.709 0.29 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG13 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.35 -58.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.7 m-20 -64.57 -26.19 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.473 ' C ' ' HH ' ' A' ' 51' ' ' TYR . . . 165.13 160.44 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -90.09 149.38 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.549 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.05 137.37 37.37 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.77 2.313 . . . . 0.0 112.236 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 p -78.7 0.89 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -131.89 139.16 48.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.34 126.67 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.72 -109.93 3.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -141.01 -58.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -93.82 127.42 39.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -122.18 134.4 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.02 158.55 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -104.41 132.35 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.548 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.33 -65.6 2.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -79.45 132.45 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -88.72 49.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.587 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -149.64 143.62 25.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 68.95 -170.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -50.88 -31.57 17.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 148.98 -19.47 1.23 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 61.11 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.604 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.9 tp -119.25 128.99 54.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.622 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.19 124.26 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -80.38 117.41 21.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.632 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.01 128.89 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.0 t -132.96 129.13 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.532 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.7 t-20 -107.14 102.5 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.537 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.75 -31.42 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -56.0 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 63.0 mttp -87.6 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' ASN . 2.4 mmtp 55.81 31.74 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -102.45 128.29 49.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.479 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -83.63 153.35 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.08 143.89 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.437 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.37 138.51 54.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HH ' ' C ' ' A' ' 17' ' ' GLY . 27.6 t80 -122.29 124.21 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.482 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.59 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.5 t-20 -88.81 124.85 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.535 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 27.9 t70 -96.72 -47.54 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.496 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.449 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 11.3 p -56.96 135.9 56.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.505 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.629 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -104.53 12.57 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.629 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -127.59 -12.22 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -129.15 138.23 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.529 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 4.3 pt-20 -91.57 138.9 31.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.605 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.44 123.04 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -178.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.529 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 54.4 m-70 -109.67 122.96 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.293 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.1 129.92 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 tp -142.05 92.74 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.9 t -113.35 131.01 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -107.99 134.13 51.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.357 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -116.88 159.36 22.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.8 t30 -79.99 157.62 26.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -47.65 -51.08 22.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.519 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 58.2 t0 -75.3 75.26 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.5 m -154.47 113.71 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 50.3 t0 -78.57 80.03 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 pt -121.28 158.96 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 103' ' ' GLU . 29.7 ttpt -132.0 165.74 23.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.626 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.92 136.62 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt -112.08 174.36 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.37 -138.56 1.42 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 3.67 54.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.1 m -48.31 124.76 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -83.61 126.53 32.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.6 tp -122.54 127.87 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.551 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -149.71 153.97 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -107.7 150.12 27.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -100.64 170.18 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.655 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -63.06 -24.59 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.655 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.23 57.25 0.85 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.2 mt-10 -143.6 149.68 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.548 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -103.77 140.66 37.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.483 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.92 135.82 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.67 113.44 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -121.7 144.84 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 p -162.93 139.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -102.35 135.57 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.35 130.11 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.466 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -93.3 152.05 40.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.1 159.32 12.66 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.4 m 53.58 28.32 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -153.16 155.96 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.1 m -134.63 135.26 42.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -129.46 155.91 44.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.1 mtp -83.05 155.58 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.6 t80 -116.0 -103.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.04 163.19 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.9 tt0 -141.76 154.6 45.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.58 -159.29 14.42 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.6 ttt180 -94.39 138.21 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.57 130.66 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.4 t30 -135.2 120.94 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.79 97.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 21.6 p90 -145.68 157.84 43.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.788 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -116.98 135.55 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.312 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m -113.86 133.49 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.977 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -136.42 121.25 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.233 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.6 mtm -127.17 165.26 19.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.997 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 45.0 t0 -156.31 174.96 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.354 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.453 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.97 88.0 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.813 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.09 151.84 45.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' SER . 57.4 Cg_endo -72.92 135.64 23.67 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.144 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.3 mt -41.48 98.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' PRO . 29.6 m -66.92 177.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.06 -29.52 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.434 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.55 -35.19 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.469 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 58.0 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.445 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -147.63 -52.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.8 m-20 -81.84 4.62 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.656 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.66 155.94 9.15 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.629 ' N ' ' NE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -85.95 149.39 50.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.82 148.97 20.91 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.866 2.377 . . . . 0.0 112.189 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.3 m -79.04 -19.57 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -113.06 140.63 47.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.76 129.78 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.99 -118.51 3.11 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -136.98 -62.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.594 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -92.1 129.19 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.69 132.89 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -139.95 133.5 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.474 -179.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -93.65 132.82 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.31 -69.6 1.29 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -88.16 132.0 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.619 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.85 4.18 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -91.77 154.18 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 37.8 t0 61.69 -141.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.545 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 24.6 p-10 -92.33 13.22 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.87 -19.45 44.05 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.5 mt 59.89 -76.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.623 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.6 tp -112.93 131.51 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -108.49 125.3 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 27' ' ' THR . 35.3 ttm180 -81.76 112.07 18.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 40' ' ' ILE . 62.2 mt -99.64 130.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.442 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.7 t -132.23 127.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.8 t-20 -105.96 103.75 13.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.0 -30.67 64.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' HZ3' ' CE ' ' A' ' 45' ' ' LYS . 24.9 ttpp -58.25 -57.93 10.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.627 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 89.3 mttt -99.16 -4.07 33.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 54.01 28.19 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.763 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.97 127.78 44.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -85.88 147.33 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.92 147.05 32.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -123.73 138.83 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.826 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -125.44 127.07 45.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.525 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 39.0 t-20 -96.2 131.34 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.542 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 39.9 p-10 -102.18 -35.48 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.521 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.7 122.44 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.517 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 47.3 p -97.04 15.5 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.19 -15.58 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -135.75 145.82 47.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -93.32 145.86 24.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.517 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.553 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.59 122.35 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.641 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -108.53 117.53 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.437 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.38 134.46 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 tp -142.87 91.31 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.365 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.29 135.05 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -113.09 135.0 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.397 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -118.69 164.24 15.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 36.2 t30 -82.95 154.69 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.56 -44.74 36.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.578 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.5 m-20 -79.55 72.78 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.533 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 33.8 m -153.58 116.83 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 105' ' ' ARG . 43.5 t0 -77.65 80.11 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -122.15 155.52 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 34.7 tttp -136.01 162.03 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.429 ' N ' ' HG2' ' A' ' 72' ' ' LYS . . . -95.45 145.61 25.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' GLY . 63.6 mt -112.91 -103.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.9 -158.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -53.33 -6.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.507 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.552 ' H ' ' C ' ' A' ' 75' ' ' GLY . 90.5 m -44.9 111.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -80.65 121.29 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.3 tp -113.65 131.75 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -153.58 153.76 32.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.25 151.94 25.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -106.61 168.43 9.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.49 -37.18 86.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.675 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.72 -25.2 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.675 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 98.85 56.42 1.02 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.442 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.3 mt-10 -140.92 146.79 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.354 . . . . 0.0 110.613 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -101.14 137.74 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 81.9 t -126.12 135.41 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.0 103.54 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.1 p -113.8 144.83 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.61 147.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.22 134.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.714 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.51 133.02 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -90.0 154.3 47.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.75 148.06 84.96 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.794 2.33 . . . . 0.0 112.092 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 m 59.63 30.78 20.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -149.19 135.35 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.579 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -117.2 123.98 47.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -119.35 163.43 17.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -81.21 153.7 27.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -115.77 -94.24 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.451 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.2 pp -134.07 155.51 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.7 tt0 -132.04 155.15 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.66 -159.71 18.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASP . 58.5 ttm-85 -94.69 141.71 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.479 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.97 135.92 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 7.9 p30 -140.53 121.79 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.81 98.35 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -139.77 156.31 46.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.709 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -106.94 129.28 54.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.2 m -111.85 134.42 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -138.28 121.69 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 113' ' ' MET . 2.8 mpp? -133.17 171.29 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 111.04 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.4 t0 -160.35 172.55 17.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.31 87.42 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.76 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.37 150.18 48.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.72 149.43 60.73 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.817 2.345 . . . . 0.0 112.119 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.65 128.65 36.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.7 m -95.33 -170.61 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.57 -31.01 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.471 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.26 -39.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.0 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.513 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.692 0.282 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -60.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 -179.182 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.6 m-20 -63.67 -28.47 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.682 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.22 161.4 18.01 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -92.77 149.14 37.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.476 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.65 139.03 27.52 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.838 2.359 . . . . 0.0 112.226 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -85.48 9.04 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -136.32 127.95 28.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.06 128.56 68.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.25 -114.79 3.49 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -136.52 -59.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -89.72 116.92 28.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.56 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -119.33 131.85 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -139.96 171.18 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.2 mttm -114.93 97.08 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -33.57 -77.45 0.04 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -66.59 137.35 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 2.6 pm0 -94.96 31.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -132.15 159.11 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 58.25 -149.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -84.14 20.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 95.46 -23.84 31.92 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 23.9 mt 60.09 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.2 tp -105.95 134.03 49.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -108.79 128.25 54.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -85.74 110.63 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -103.74 130.86 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.9 t -132.56 126.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.661 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.1 t-20 -102.85 104.3 14.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.07 -32.37 70.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.693 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -59.34 -52.39 65.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -100.81 -6.09 25.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.661 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 55.73 22.42 5.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.686 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -97.29 127.91 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.442 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.404 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 36.2 m0 -83.53 153.81 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.96 145.19 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -124.42 137.13 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -121.39 122.77 40.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 130.93 38.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.548 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 25.7 p-10 -106.8 -35.4 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.539 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.5 p -58.21 120.31 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.404 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 63.1 p -95.52 13.35 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -126.02 -15.83 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.661 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -136.16 145.41 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.23 145.14 24.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 121.93 34.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -108.16 121.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -101.8 131.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.825 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 tp -142.05 92.37 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.305 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.95 131.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -110.08 135.23 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.383 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -118.22 158.06 25.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.734 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.532 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 40.4 t30 -76.76 157.2 31.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -47.27 -45.97 24.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.582 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.3 t70 -80.82 77.2 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.5 m -154.78 112.45 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.4 t0 -76.27 80.71 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.464 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 65' ' ' PHE . 23.5 pt -123.84 159.35 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.59 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.8 mtpt -132.03 171.19 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.612 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.38 136.37 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.54 173.3 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.589 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.88 -137.88 1.35 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -87.14 -2.8 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.5 m -44.54 117.13 1.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -81.85 126.94 32.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.8 tp -121.45 127.25 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.608 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -147.84 154.03 39.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -106.86 151.84 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -103.18 165.92 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.99 -35.83 81.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.506 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.689 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -63.54 -25.12 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.689 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.67 61.8 0.76 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.459 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.6 mt-10 -144.55 146.39 32.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -102.4 136.37 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.508 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.6 t -126.0 139.7 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.512 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.08 108.07 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.5 p -118.67 143.9 46.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.644 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.88 144.82 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -103.25 135.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.651 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 t -114.93 128.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -90.12 156.56 46.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.453 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.93 155.71 58.7 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.77 2.314 . . . . 0.0 112.074 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 34.3 t 55.43 22.82 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -144.64 145.41 31.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.58 138.57 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -133.8 163.43 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.3 mmm -86.93 155.14 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.408 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 19.7 t80 -116.68 -102.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.408 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.87 161.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.8 tt0 -139.92 153.44 46.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.92 -159.44 15.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.9 ttt180 -95.94 139.39 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.88 132.38 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 3.4 p-10 -139.27 118.65 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.25 97.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 19.5 p90 -145.79 157.4 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.806 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -108.54 127.57 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.288 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -111.04 134.88 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -136.87 123.64 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.244 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.1 mtm -130.18 162.42 28.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 110.95 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.4 t0 -156.64 172.17 19.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.6 87.24 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.691 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.1 mt -85.74 150.51 53.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.65 146.4 48.91 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.827 2.352 . . . . 0.0 112.089 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -68.16 111.76 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 m -86.93 -168.11 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.9 -30.71 69.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 11.4 pt-20 -55.29 -41.54 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.43 ' N ' ' CG ' ' A' ' 121' ' ' GLU . 42.2 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.464 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.742 0.306 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.93 -56.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.6 m-20 -71.0 -23.55 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.83 162.7 10.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.749 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -92.56 145.65 30.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.514 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.82 152.7 12.93 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.82 2.347 . . . . 0.0 112.189 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.0 m -83.44 -21.82 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 79.7 t80 -96.2 141.39 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.505 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -102.16 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.53 -144.23 3.98 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -131.58 -73.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -75.49 124.25 26.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.604 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.44 129.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -148.44 161.35 41.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -96.69 134.0 40.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.49 -60.7 4.55 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -78.65 145.22 34.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.618 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -95.13 26.15 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -121.81 154.46 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 31.0 t0 57.08 -155.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.586 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 25.7 m120 -65.03 -33.34 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 159.01 -22.44 0.31 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 19.2 mt 61.35 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.9 tp -106.6 131.86 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.619 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.97 130.97 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.533 ' NH1' ' OH ' ' A' ' 50' ' ' TYR . 36.3 ttm-85 -89.42 115.59 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.3 mt -106.01 128.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.49 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.74 131.17 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t-20 -107.84 102.55 11.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -56.77 -27.76 60.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -54.76 -58.43 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.629 ' NZ ' ' NE2' ' A' ' 47' ' ' GLN . 7.8 mtpm? -107.15 1.19 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.641 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 55.09 30.37 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.745 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.629 ' NE2' ' NZ ' ' A' ' 45' ' ' LYS . 2.3 pt20 -98.21 127.3 44.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.41 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 37.2 m0 -82.45 152.21 26.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.608 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.19 145.18 28.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.533 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 52.7 m-85 -120.31 142.43 49.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.721 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -130.19 123.81 31.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.474 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.596 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 5.5 t-20 -89.06 134.71 33.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 54' ' ' THR . 29.7 p-10 -106.51 -36.22 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.56 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -63.5 118.58 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.492 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.629 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 57.6 p -90.19 12.3 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.629 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -124.71 -19.28 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.653 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -134.84 142.36 46.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.598 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.9 pm0 -91.85 142.53 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.78 116.92 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.661 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.4 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 22.8 m-70 -95.11 128.16 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -101.74 129.88 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.13 91.44 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.366 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.22 134.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -111.86 136.05 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.366 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.99 165.92 14.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.512 HD21 ' CG ' ' A' ' 68' ' ' ASP . 20.9 t30 -82.19 157.04 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -49.96 -48.68 52.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.561 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 51.4 p30 -79.12 77.81 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.617 ' HG ' HD22 ' A' ' 107' ' ' ASN . 34.9 m -153.65 116.0 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.5 m-20 -75.92 80.64 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 pt -124.59 157.09 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 103' ' ' GLU . 14.0 ttmt -132.22 162.88 29.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -101.18 136.71 40.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -111.96 172.37 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.05 -137.8 1.92 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -90.78 -0.15 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.489 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -45.02 121.34 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -81.4 127.66 33.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.8 tp -125.09 130.8 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.559 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -152.62 157.22 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -108.52 151.24 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.525 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -104.7 167.13 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.549 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.93 -36.2 82.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.671 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.75 -25.23 67.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.57 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.671 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.21 59.19 0.89 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.453 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.3 mt-10 -142.96 147.97 36.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -102.3 137.34 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.6 t -126.85 134.36 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.12 113.88 11.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.502 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.4 p -124.28 143.86 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -161.67 139.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.25 139.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.678 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.0 t -118.63 132.74 67.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.413 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -93.53 152.91 41.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.499 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.68 151.09 78.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.667 2.245 . . . . 0.0 112.091 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.4 t 60.04 31.22 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -150.27 155.95 40.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -135.22 116.75 14.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.04 165.27 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.8 mmm -86.44 155.59 20.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.625 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -120.14 -103.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -122.02 159.21 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.8 tt0 -137.71 153.1 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.67 -158.95 16.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' ASP . 25.7 ttm105 -95.93 140.36 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.45 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.87 137.5 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.617 HD22 ' HG ' ' A' ' 69' ' ' CYS . 7.8 p30 -137.9 122.27 18.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.352 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.74 97.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -138.87 156.13 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.753 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -107.52 129.76 54.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.37 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.4 m -112.63 136.52 52.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -140.37 126.02 19.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.176 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -134.66 163.37 29.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.987 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 39.3 t0 -149.77 171.56 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.299 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 92.51 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.407 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 7.8 mt -91.98 150.79 41.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.482 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.7 Cg_endo -74.81 135.03 18.92 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.795 2.33 . . . . 0.0 112.128 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.441 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.8 mt -54.78 138.81 41.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.343 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -110.58 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.559 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.86 -32.23 60.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.544 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.8 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.409 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.739 0.305 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.02 -55.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.626 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.1 m-80 -76.49 -23.8 53.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.16 175.46 29.12 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -91.49 158.3 40.87 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.89 141.47 30.25 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.873 2.382 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 98' ' ' THR . 21.2 p -74.93 -14.52 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -121.34 151.14 40.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.499 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.579 ' CG2' ' H ' ' A' ' 23' ' ' GLY . 9.0 p -136.56 176.35 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' CG2' ' A' ' 22' ' ' VAL . . . -161.29 -113.67 0.32 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -143.92 -57.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.616 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -92.99 128.28 38.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.28 134.23 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -147.84 159.6 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.49 121.73 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.86 -70.14 1.05 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -73.01 -131.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.526 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -170.47 51.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -154.09 150.32 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 43.1 t0 61.02 -135.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.506 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.538 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 6.2 p30 -90.36 12.29 18.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.2 -16.82 56.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 60.89 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.644 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.3 tp -107.84 134.11 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -110.42 137.65 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.528 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -90.55 102.72 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.75 124.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -132.4 127.93 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -109.15 103.88 12.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -57.57 -31.4 66.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.668 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -55.43 -55.0 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.8 mmtt -102.99 -4.67 24.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.638 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 54.29 32.16 15.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.685 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.38 125.69 49.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.486 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.403 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 37.3 m0 -84.14 146.33 27.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.5 148.64 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.365 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.465 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 65.4 m-85 -122.55 146.39 47.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -131.78 122.47 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.446 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 64.9 t-20 -92.02 137.38 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.537 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 31.3 p-10 -112.26 -36.84 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.71 123.51 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.662 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 46.1 p -96.84 13.67 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.65 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.662 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -126.29 -13.48 6.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.7 m-85 -138.66 145.08 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.519 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.2 pt-20 -92.77 146.42 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.454 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.02 117.66 30.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.705 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.519 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 43.2 m-70 -105.71 123.6 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.318 179.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.76 133.54 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.768 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.11 92.39 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.69 131.69 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.794 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -111.73 131.07 55.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.391 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -115.41 160.13 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.782 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.2 t30 -75.52 155.51 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.61 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -49.06 -45.0 42.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 63.1 t0 -79.54 74.43 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 31.8 m -154.15 114.96 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.594 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.1 m-20 -76.75 80.33 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.74 154.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.1 mtpp -127.91 169.95 13.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.53 141.23 38.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 75' ' ' GLY . 14.1 mt -120.37 174.08 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' LEU . . . 38.77 -137.56 0.95 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.511 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.4 m -45.49 117.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -85.09 124.36 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.3 tp -119.03 131.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -151.51 154.04 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.561 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.93 150.7 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.74 169.56 8.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.04 -34.99 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.428 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER -66.77 -24.54 66.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.428 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.28 63.87 0.77 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.8 mt-10 -144.44 147.43 33.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -102.91 137.58 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.9 t -130.65 133.22 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.57 107.59 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.3 p -115.31 143.96 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.634 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.73 139.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.442 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.73 135.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.36 135.06 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.47 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -97.81 153.41 38.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.67 152.19 50.4 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.781 2.321 . . . . 0.0 112.135 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.2 t 51.48 42.13 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.497 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -156.32 156.87 34.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 20' ' ' THR . 0.3 OUTLIER -135.25 144.76 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -140.52 162.32 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.608 -179.226 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.5 mmm -88.07 142.44 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -104.05 -102.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.456 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.2 pp -124.13 154.78 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 72' ' ' LYS . 84.4 tt0 -131.96 156.42 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.573 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.18 -160.05 14.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.4 ttm-85 -93.55 139.92 30.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.468 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -121.77 135.67 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.797 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -148.45 116.13 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.325 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.82 99.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 23.7 p90 -151.12 154.24 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -105.42 132.42 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.309 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 m -117.26 132.94 56.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -136.77 119.41 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.196 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 75.0 mtm -124.44 163.42 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.019 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -157.7 170.99 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.22 88.56 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.72 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' GLU . 18.5 mt -85.75 164.41 39.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.443 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 6.1 Cg_exo -75.8 152.74 37.48 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.778 2.318 . . . . 0.0 112.074 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.64 111.26 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -80.26 -165.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -66.4 -30.49 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -54.95 -38.22 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.428 179.672 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.793 0.33 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.94 -49.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 70.7 m-80 -88.12 4.24 46.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.705 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.76 173.03 13.42 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.6 153.13 50.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.77 149.77 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.822 2.348 . . . . 0.0 112.209 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.494 ' CB ' ' HG1' ' A' ' 98' ' ' THR . 17.1 p -84.73 2.31 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -132.59 145.28 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.486 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.71 141.62 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.15 -111.97 1.37 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -145.19 -62.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.623 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.92 119.74 31.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -110.95 135.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -137.15 170.91 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -132.94 115.32 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.05 -65.7 3.36 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.66 121.91 32.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -73.65 -23.04 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.551 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -56.94 158.29 5.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.7 t0 55.78 -143.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.577 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 81.5 m-20 -90.91 8.97 32.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.35 -20.75 10.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 51.5 mt 56.73 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.665 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 35' ' ' GLY . 15.3 tp -107.83 130.37 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -109.63 126.46 53.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.485 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' THR . 60.5 ttp180 -84.22 123.2 29.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.14 131.41 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.507 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -134.24 128.99 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 t-20 -109.24 103.55 12.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -54.81 -31.95 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.683 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 44.5 mtmt -97.94 -2.34 40.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 58.09 37.63 26.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -100.18 126.16 46.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -85.21 144.92 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.79 146.01 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -123.88 136.27 54.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -119.31 126.38 51.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.44 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 52.0 t-20 -95.32 133.85 38.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 54' ' ' THR . 22.5 p-10 -105.08 -40.73 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.532 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.4 p -58.62 116.42 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -86.76 -4.16 59.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.9 tt0 -95.3 -46.58 6.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.97 150.5 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -93.47 150.26 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.519 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.82 122.73 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -106.63 119.15 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.381 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.8 t -97.71 132.93 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -143.35 92.07 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.348 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.4 t -113.18 134.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.8 m -112.49 134.46 54.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.412 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.03 163.01 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.1 t30 -81.22 160.27 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.8 -52.38 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.45 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.512 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 56.3 t0 -74.34 76.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.9 m -154.27 113.2 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' ARG . 42.8 t0 -76.64 79.92 3.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.538 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.73 156.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -138.12 160.79 38.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.53 140.5 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.544 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.7 mt -103.02 -101.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.59 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.0 -154.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -59.99 -2.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.545 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 75' ' ' GLY . 60.7 m -46.41 116.64 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -80.08 123.28 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -118.27 132.48 56.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -155.31 154.64 32.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -108.78 151.38 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -105.07 168.28 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.92 -36.37 83.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.671 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -60.74 -25.18 66.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.671 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.25 57.6 0.95 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.3 mt-10 -142.19 146.09 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.578 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.45 138.78 38.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.1 t -126.78 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.25 106.47 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.6 p -117.31 143.07 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.16 145.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.8 t -101.83 134.22 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.35 134.55 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.486 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -92.95 156.14 40.77 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.528 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.512 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 33.4 Cg_exo -56.55 162.76 7.77 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.725 2.283 . . . . 0.0 112.083 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 15.1 p 40.82 25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.416 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' PRO . 57.2 mm-40 -142.4 130.77 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.494 ' HG1' ' CB ' ' A' ' 20' ' ' THR . 0.7 OUTLIER -114.1 122.1 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.529 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -112.92 160.27 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 82.7 mmm -82.05 149.87 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -111.54 -101.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.466 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -127.28 156.7 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.2 tt0 -133.9 153.75 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.67 -161.03 18.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ASP . 71.7 ttt180 -92.4 141.28 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.56 133.6 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -134.98 121.46 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.293 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.81 98.46 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -139.77 156.63 46.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.757 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -110.3 127.79 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.331 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -107.51 135.7 48.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -140.9 124.89 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -133.73 172.79 12.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.5 t70 -165.58 170.2 14.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.361 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.86 94.66 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.787 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mt -96.94 152.51 38.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.415 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 161.52 2.21 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.829 2.352 . . . . 0.0 112.107 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.74 123.91 32.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.428 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -83.02 178.91 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.93 -29.97 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.46 -38.17 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 31.1 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.4 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 HG13 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.94 -57.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.599 -179.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 76.9 m-20 -65.53 -25.75 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.712 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.7 174.31 26.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -99.68 137.74 20.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.43 148.46 5.2 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.83 2.353 . . . . 0.0 112.198 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.434 ' OG1' ' OG1' ' A' ' 98' ' ' THR . 43.5 p -84.17 -0.66 52.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -127.51 138.44 52.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.76 129.94 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.633 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.37 -104.17 2.38 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.49 -59.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -96.8 125.97 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.29 140.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.678 ' HG1' ' HE ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -144.07 170.61 15.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 108.57 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.69 -71.36 0.4 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.41 125.41 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.637 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 51.7 mp0 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -64.12 160.32 18.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 57.65 -158.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -79.67 8.91 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 112.08 -28.48 9.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.6 mt 60.41 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.69 0.281 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 56.5 tp -101.3 126.0 48.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -107.8 125.29 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.678 ' HE ' ' HG1' ' A' ' 27' ' ' THR . 55.0 ttp180 -88.85 115.14 26.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.411 HG22 HD13 ' A' ' 40' ' ' ILE . 61.5 mt -104.89 130.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.29 129.34 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.5 t-20 -106.49 101.97 11.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.554 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -54.09 -29.79 45.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.726 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -51.65 -70.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.673 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -93.87 -2.15 53.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 57.98 30.95 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.88 128.94 44.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -83.98 142.4 30.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.04 144.51 38.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.418 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -123.46 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -125.12 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.503 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 53.4 t-20 -92.22 129.41 38.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.705 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 54' ' ' THR . 23.8 p-10 -103.25 -38.93 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.463 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.555 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.8 p -59.2 117.2 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.667 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 66.4 p -89.06 0.66 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.667 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -113.21 -16.21 12.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -135.63 149.1 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.668 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.502 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 4.5 pt-20 -93.97 142.99 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.46 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.662 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.66 121.76 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.502 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 47.3 m-70 -106.47 131.57 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.321 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.2 t -111.54 132.42 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.773 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 tp -143.28 95.27 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -115.86 130.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.743 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -108.26 133.13 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.37 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.02 160.4 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.5 t30 -79.15 153.63 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -47.3 -43.69 22.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-20 -79.28 72.1 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.623 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 37.5 m -153.85 112.08 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.606 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -77.44 80.5 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.424 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.57 158.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.603 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 15.5 ttmt -132.34 162.48 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -96.47 138.97 33.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.5 mt -116.59 167.92 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.31 -135.51 9.56 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -92.51 -2.12 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.3 m -47.5 123.0 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -85.12 127.87 34.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.5 tp -122.28 130.78 53.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.576 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.19 152.55 33.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -107.82 151.06 26.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.603 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -105.07 169.78 8.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -65.23 -34.46 78.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.679 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -64.35 -25.24 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.679 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.87 55.17 1.01 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HB2' HD22 ' A' ' 84' ' ' ASN . 80.2 mm-40 -136.12 141.58 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.46 133.86 42.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.35 129.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.642 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.11 107.8 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.508 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 p -119.61 144.46 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.91 139.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.473 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.1 t -97.76 133.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.0 t -112.8 130.33 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.25 152.77 39.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.469 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.84 151.44 71.11 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.752 2.301 . . . . 0.0 112.107 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.32 25.76 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.414 ' OE2' ' OE2' ' A' ' 99' ' ' GLU . 64.0 tt0 -149.09 156.38 42.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' OG1' ' A' ' 20' ' ' THR . 1.3 m -137.91 120.23 15.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 75.5 mm-40 -112.95 160.75 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.2 mtp -84.38 154.82 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -116.89 -103.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.476 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -128.41 157.16 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -134.37 -177.31 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.562 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 96.69 -155.42 20.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -96.75 139.99 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.447 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.88 132.4 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' GLY . 4.3 t30 -137.39 121.38 17.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.6 98.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -145.92 156.71 43.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 110.816 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -115.74 135.51 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.344 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -113.11 134.01 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -142.34 123.08 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 113' ' ' MET . 4.2 mpp? -128.61 172.51 11.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 110.955 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.9 t70 -161.34 170.99 19.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -122.47 89.03 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.679 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.2 mt -90.12 151.86 45.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.594 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.7 142.26 47.69 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.095 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.4 mt -50.05 105.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.428 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.1 m -67.43 167.05 13.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -51.48 -28.25 12.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.47 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.23 -33.7 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.6 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 27.3 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.722 0.296 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG11 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.27 -59.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.136 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 80.8 m-20 -70.8 -26.6 63.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.51 178.13 35.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 28.8 mmm-85 -98.21 148.02 33.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.531 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' CE2' ' A' ' 14' ' ' TYR . 41.9 Cg_endo -70.25 143.07 47.4 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.805 2.337 . . . . 0.0 112.2 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 p -77.16 -9.6 58.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -117.3 140.04 50.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -137.65 127.65 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.56 -105.06 2.87 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -147.54 -57.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.596 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -95.04 127.4 41.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.68 135.84 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -146.86 140.17 25.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -89.2 136.56 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.94 -59.53 2.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -79.98 125.56 29.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.87 -30.6 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 18.1 tptm -66.18 150.59 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 m-20 57.79 -174.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -51.17 -35.68 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.23 -20.1 0.55 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.5 mt 61.06 -76.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.592 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.2 tp -103.64 126.69 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.31 120.82 42.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' THR . 59.0 ttp180 -76.67 122.52 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 40' ' ' ILE . 55.1 mt -107.66 129.67 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -133.58 130.63 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.59 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -112.69 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -52.77 -30.2 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -50.89 -57.0 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.653 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -109.2 -2.59 17.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.658 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER 55.76 34.8 24.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -96.92 122.7 40.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.0 m0 -83.66 143.05 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.63 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.451 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -130.34 139.25 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -121.73 119.12 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.414 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 58.2 t-20 -81.3 134.68 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 8.7 p-10 -112.9 -41.62 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.515 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.8 111.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 118' ' ' LEU . 70.9 p -81.26 -5.56 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.472 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.1 tt0 -95.85 -45.74 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 m-85 -114.87 153.16 30.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.5 pt-20 -92.66 150.68 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.504 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.4 119.99 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.733 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.413 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 48.5 m-70 -109.07 123.13 48.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.349 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.6 t -104.0 133.43 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.718 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.51 92.27 2.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.361 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.4 t -112.74 135.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.778 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.7 m -111.51 137.57 49.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.67 166.95 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 29.4 t30 -86.28 152.47 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.603 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -47.46 -43.95 24.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.7 m-20 -81.44 74.0 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.59 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 36.3 m -153.65 116.99 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -76.48 81.44 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 pt -125.01 159.96 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.635 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -143.05 164.64 29.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.64 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -94.66 140.54 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.7 mt -102.55 -101.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.89 -151.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -62.47 -0.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.553 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 75' ' ' GLY . 71.8 m -47.35 114.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -78.74 119.89 22.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.4 tp -114.29 129.97 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -153.28 154.88 35.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -107.15 150.14 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.404 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 31.9 mm-40 -101.23 179.07 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.13 -41.44 63.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.534 ' ND2' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -58.27 -25.68 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.35 54.96 0.82 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 9.7 mp0 -137.42 150.41 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.646 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -103.49 134.18 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 83.5 t -118.97 139.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.27 106.31 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 p -119.17 145.82 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.9 146.67 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.5 t -105.53 135.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.71 133.03 65.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -89.18 149.13 42.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HG3' ' O ' ' A' ' 54' ' ' THR . 75.3 Cg_exo -41.5 -73.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.693 2.262 . . . . 0.0 112.135 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.47 47.5 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 98' ' ' THR . 2.0 tm-20 -158.41 146.98 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.572 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.489 ' N ' ' CD ' ' A' ' 97' ' ' GLU . 4.6 m -131.04 133.58 45.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -127.92 156.8 42.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 91.1 mmm -83.49 145.81 28.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.68 -104.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.483 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -128.07 161.49 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.549 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -134.78 -178.68 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.86 -159.23 19.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -95.28 143.43 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.45 136.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.59 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p30 -137.76 122.42 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.348 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.75 95.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.5 156.06 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -105.96 126.36 52.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -111.56 134.77 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.55 121.75 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.236 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -128.46 164.8 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.992 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.8 t70 -156.24 169.32 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.306 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.18 97.48 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.739 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.74 151.93 37.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.66 155.79 9.87 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.808 2.339 . . . . 0.0 112.15 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 55' ' ' THR . 22.0 mt -83.98 114.64 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 m -68.43 168.24 13.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.545 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -56.36 -26.79 53.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.64 -35.79 73.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 35.0 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 179.703 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.716 0.293 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.94 -53.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.633 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 68.0 m-80 -80.77 2.33 26.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.41 169.14 12.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.79 136.52 21.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.516 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -46.66 147.41 4.5 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.834 2.356 . . . . 0.0 112.248 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -79.35 -5.38 54.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -127.39 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -131.94 129.03 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.79 -114.95 3.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -134.86 -60.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -89.82 128.17 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.98 132.97 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.11 171.72 14.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.515 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 114.24 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.39 -72.75 0.34 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.78 -152.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.595 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.88 17.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASP . 63.8 mttm -108.92 171.45 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.482 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' LYS . 75.5 m-20 41.29 -164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -57.08 -31.04 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.595 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.37 -23.43 0.58 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt 59.79 -76.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.636 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.0 tp -107.54 129.15 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -108.94 140.25 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.522 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.66 ' NH1' ' CZ ' ' A' ' 50' ' ' TYR . 4.7 tpm_? -92.18 104.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 mt -98.8 127.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.42 128.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.2 t-20 -107.44 103.03 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -52.95 -30.85 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.659 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -97.48 -3.06 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.633 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.3 mmtm 57.2 35.95 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.71 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -97.04 126.25 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -86.48 140.63 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.601 ' N ' ' NH2' ' A' ' 39' ' ' ARG . . . -140.6 149.73 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.66 ' CZ ' ' NH1' ' A' ' 39' ' ' ARG . 38.7 m-85 -122.93 140.05 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.759 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -128.59 120.06 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.599 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 25.0 t-20 -83.32 115.43 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.731 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 63.9 t0 -78.68 -39.07 37.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.444 ' HG1' HD22 ' A' ' 52' ' ' ASN . 49.8 p -59.3 165.1 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 p -125.38 5.84 7.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -140.62 3.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.88 129.47 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.684 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.527 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 8.2 pt-20 -92.85 131.81 37.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.599 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -92.41 119.94 32.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 -179.042 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.527 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 35.8 m-70 -101.96 109.93 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.2 t -87.99 133.31 30.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.775 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.31 91.74 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.297 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -113.34 137.05 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.793 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.6 m -114.8 134.04 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.302 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.2 m-85 -117.74 160.34 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.735 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.504 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 31.6 t30 -78.18 157.97 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.636 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -49.73 -51.35 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 55.5 t0 -75.93 76.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.598 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 33.8 m -154.02 114.48 3.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.9 t0 -75.93 81.27 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.434 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.65 157.89 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 10.9 ttpp -141.77 161.02 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.653 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.411 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -90.91 141.24 29.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.475 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.1 mt -103.48 -97.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.35 -150.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.49 1.18 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.447 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.6 m -48.42 116.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.558 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -75.86 121.48 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -116.63 129.63 56.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -152.98 151.9 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -108.64 151.43 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -106.21 168.01 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.61 -37.64 87.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.698 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.54 -25.04 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.51 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.698 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.08 54.14 1.13 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HB2' HD22 ' A' ' 84' ' ' ASN . 81.0 mm-40 -136.38 140.52 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.491 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -97.97 129.34 44.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.7 t -115.02 135.16 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.73 103.66 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.4 p -118.53 143.91 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.72 141.71 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.6 t -101.34 132.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.99 133.47 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.496 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -92.67 151.88 41.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.61 148.4 93.1 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.793 2.329 . . . . 0.0 112.057 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 t 65.32 22.78 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -147.43 136.37 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.534 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 m -116.09 121.02 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -115.1 161.31 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.0 mmm -85.09 154.61 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.571 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -113.16 -102.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.484 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -129.35 159.38 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.518 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -132.48 -178.67 5.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.591 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.42 -159.53 19.86 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 ttm-85 -94.37 142.32 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.466 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.56 136.7 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.717 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.598 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 7.8 p30 -139.56 121.66 15.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.319 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.21 98.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -132.94 161.87 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -105.43 122.02 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.347 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 p -100.73 118.61 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -129.67 116.63 19.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.216 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.408 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -132.28 170.3 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.994 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -157.64 173.31 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.439 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.08 88.24 2.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.775 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mt -95.66 155.08 38.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.447 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.44 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 70.3 Cg_endo -77.1 141.2 20.64 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.758 2.305 . . . . 0.0 112.146 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.2 mt -42.03 104.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.421 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.0 m -66.55 170.84 5.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.579 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -53.23 -29.69 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.53 -35.03 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 73.6 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.431 179.714 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.708 0.289 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 HG11 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.75 -57.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.621 -179.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.1 m-80 -65.26 -27.38 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.657 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.07 170.43 31.93 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -95.97 150.85 37.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.07 137.17 19.12 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.8 2.333 . . . . 0.0 112.232 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -80.58 0.34 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -129.51 134.97 48.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.68 125.57 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.31 -108.6 3.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -146.77 -58.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -89.94 105.97 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -105.8 142.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.85 171.49 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.494 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -133.94 104.39 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -40.7 -69.6 0.47 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -82.69 117.45 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.61 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.35 -30.77 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -58.71 159.0 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 55.15 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -53.75 -33.1 54.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.85 -25.3 0.56 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 20.2 mt 60.72 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.684 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 35' ' ' GLY . 49.2 tp -110.09 125.35 52.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -110.49 126.56 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.458 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -90.58 115.47 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.672 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -106.83 133.41 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -134.31 128.17 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.639 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.9 t-20 -108.79 100.22 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -54.44 -31.8 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.662 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -55.86 -50.87 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.639 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -106.97 -3.11 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.608 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.639 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.02 26.14 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.694 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -99.13 129.97 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -87.21 151.17 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.3 147.56 29.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -125.4 141.0 52.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.718 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -124.1 115.92 21.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.464 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -87.19 131.61 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.537 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 2.6 p30 -107.68 -35.5 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.404 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.12 118.12 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.3 p -90.51 0.49 57.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 tt0 -104.45 -44.78 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.447 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.39 151.89 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 -179.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.22 147.63 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.46 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.65 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 122.71 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -109.89 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.7 132.99 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -142.53 93.41 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.33 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.18 133.45 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.782 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -111.89 135.18 52.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -118.66 164.9 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.499 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.0 t30 -82.76 155.7 24.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.46 -47.58 38.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.88 72.47 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.499 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 33.9 m -154.31 114.36 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.91 82.03 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.3 pt -131.25 159.19 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HZ1' ' CD ' ' A' ' 103' ' ' GLU . 25.1 pttm -142.35 -170.6 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.47 140.39 47.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.3 mt -99.93 -100.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.16 -144.38 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.36 -5.0 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.0 m -45.6 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -83.05 122.12 27.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 tp -114.99 130.13 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -152.19 152.64 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.92 151.35 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -100.96 173.4 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.31 -33.66 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.647 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -64.27 -25.55 68.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.561 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.647 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 103.17 56.69 0.78 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.439 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.5 mt-10 -141.67 152.39 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -105.49 138.95 40.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.47 136.7 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.09 107.53 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.6 p -116.95 144.91 44.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.1 p -161.85 150.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.469 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.26 134.45 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.35 126.09 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.453 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -85.2 159.55 56.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.25 154.57 73.65 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.779 2.319 . . . . 0.0 112.126 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m 58.83 15.76 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.468 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -136.12 152.62 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -130.33 136.23 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.535 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -132.75 158.73 41.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.0 mmm -83.62 152.05 25.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.2 t80 -111.29 -100.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.407 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -126.5 163.46 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.482 ' CD ' ' HZ1' ' A' ' 72' ' ' LYS . 83.4 tt0 -142.98 153.14 42.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.35 -156.88 20.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -95.46 138.07 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.18 136.09 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.783 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -149.6 117.48 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.335 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.1 97.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -146.88 161.85 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -114.89 128.51 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.263 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.3 m -111.76 133.27 54.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.453 ' CB ' ' HZ2' ' A' ' 112' ' ' LYS . 6.7 ttpm? -139.32 123.73 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.264 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -130.3 169.43 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.992 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.9 t0 -158.41 171.89 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.304 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -123.84 87.53 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.705 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.71 150.25 53.05 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.7 146.34 48.5 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.872 2.381 . . . . 0.0 112.065 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.51 139.37 56.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.459 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.617 ' HG ' ' H ' ' A' ' 120' ' ' GLU . 6.6 t -123.16 -161.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.597 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.617 ' H ' ' HG ' ' A' ' 119' ' ' SER . 23.1 pt-20 -59.2 -32.64 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.71 -39.86 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.6 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 179.445 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.773 0.32 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.62 -58.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 71.0 m-80 -63.92 -28.81 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.629 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.76 171.95 31.63 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -94.3 149.93 37.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.0 138.61 18.52 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.864 2.376 . . . . 0.0 112.2 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -77.7 -13.69 59.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -114.92 130.51 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.49 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.57 123.6 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.25 -105.39 2.96 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -148.33 -54.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.553 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -95.2 126.95 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.596 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -118.97 137.09 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -143.47 135.58 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 -179.25 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.57 110.76 20.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.499 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.3 -51.15 49.07 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -89.22 131.02 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.585 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.8 16.09 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -117.13 148.89 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' A' ' 35' ' ' GLY . 60.7 m-20 59.51 -159.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.519 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 36' ' ' LEU . 22.4 m120 -72.08 36.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 33' ' ' ASP . . . 72.33 -22.35 0.82 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 34' ' ' ASN . 26.3 mt 60.36 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.569 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.1 tp -104.11 134.59 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -112.23 123.7 50.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' THR . 41.3 ttt-85 -81.12 107.8 14.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.576 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.96 132.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.507 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.85 127.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -105.81 103.48 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.589 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -54.39 -33.48 59.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.65 ' HZ2' ' NZ ' ' A' ' 45' ' ' LYS . 21.5 ttpp -45.32 -65.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.65 ' NZ ' ' HZ2' ' A' ' 44' ' ' LYS . 42.4 mmtm -102.48 -1.84 29.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER 55.97 36.78 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.669 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -98.08 125.94 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -83.28 144.66 29.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.11 152.54 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -129.5 139.06 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.757 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -124.23 113.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.468 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 61.0 t-20 -79.82 135.09 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 22.0 p-10 -109.72 -43.09 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.528 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 16.9 p -57.4 128.96 39.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.9 p -98.89 11.33 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.81 -35.22 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.681 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 5.7 m-85 -116.41 144.84 43.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.705 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.5 pt-20 -92.44 145.45 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 178.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.83 119.28 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.06 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.414 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 50.5 m-70 -107.58 121.14 44.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.335 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.1 t -101.99 133.76 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.1 tp -142.81 91.54 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 130.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.6 m -109.02 136.18 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.16 160.85 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.763 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.9 t30 -82.38 155.39 24.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -48.09 -43.05 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.5 m-20 -78.35 69.86 4.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.513 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.2 m -153.7 115.67 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -78.77 80.08 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.9 pt -127.55 160.86 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.29 -169.76 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.25 141.61 45.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.9 mt -102.69 -99.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.65 -141.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -71.97 -6.57 42.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -44.63 116.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -80.09 122.67 27.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 tp -114.03 129.51 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -151.46 153.3 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -108.48 151.64 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -103.67 168.53 9.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.481 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.53 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.657 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.21 -25.59 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.657 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.83 55.16 0.89 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.0 mt-10 -141.62 149.65 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.579 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -102.32 138.38 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.2 t -124.22 136.35 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.45 105.71 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.2 p -117.69 146.04 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.621 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.86 146.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.52 135.78 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.656 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 t -116.38 129.0 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.457 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -91.32 155.31 44.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -61.61 155.72 51.73 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.28 . . . . 0.0 112.043 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.9 t 59.95 9.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.06 148.56 52.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -128.9 138.19 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -134.93 156.52 48.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.7 mtp -83.62 154.31 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.653 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -109.38 -100.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.484 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -133.81 161.41 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -137.08 -178.02 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.614 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 -157.46 18.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -95.59 135.59 37.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 0.0 110.425 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.17 129.8 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.468 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 5.6 t30 -134.79 121.1 20.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.321 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.66 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -140.1 163.93 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -127.6 127.36 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.391 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -103.96 135.28 45.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -139.92 122.1 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.217 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -128.23 168.31 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 111.018 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -155.5 173.1 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.39 88.83 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.784 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 mt -90.25 150.3 42.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.97 142.63 31.62 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.834 2.356 . . . . 0.0 112.136 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.91 109.92 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.9 m -80.74 -175.35 5.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.46 -26.59 65.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.413 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.53 -39.32 79.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.468 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.389 179.716 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.738 0.304 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -129.02 -55.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.621 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 69.4 m-80 -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.632 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.21 175.39 25.38 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -86.14 154.59 57.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.59 143.59 63.1 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.859 2.373 . . . . 0.0 112.204 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 m -72.96 -25.37 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -106.58 134.7 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.33 132.73 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.08 -109.57 2.25 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -148.43 -60.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.562 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -92.83 128.01 38.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.08 134.12 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -141.83 134.85 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -77.81 135.07 37.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.61 -59.28 2.39 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -84.7 126.22 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.602 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.2 -20.25 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -73.0 154.94 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 52.61 -170.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -52.86 -36.5 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 162.2 -21.9 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 30.4 mt 60.57 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.566 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.0 tp -104.94 130.44 53.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.46 122.78 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.495 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' THR . 66.1 ttp85 -78.43 107.97 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -97.11 131.93 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.6 129.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.6 t-20 -106.07 101.63 11.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -52.42 -33.55 44.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -49.41 -70.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 92.9 mttt -92.89 -4.86 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 56.62 38.04 29.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.71 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -100.34 124.17 45.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.478 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.9 m0 -81.27 146.77 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.13 29.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -124.44 136.64 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -122.69 123.2 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.453 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -91.73 125.57 36.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.743 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 29.5 p-10 -99.4 -35.88 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.527 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -58.23 122.83 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.648 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 51.3 p -96.12 12.86 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.648 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -124.32 -14.48 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.603 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.412 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 2.7 m-85 -139.89 142.96 36.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 11.7 pm0 -92.01 147.38 23.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.614 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.07 120.3 35.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.746 -179.551 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.418 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 24.1 m-70 -101.98 123.09 45.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.339 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.2 t -102.81 126.42 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.795 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.6 tp -141.48 91.3 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.307 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -113.05 132.06 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.463 ' CG2' ' HZ2' ' A' ' 110' ' ' LYS . 61.1 m -109.91 133.26 53.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.377 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -117.46 160.17 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.4 t30 -81.76 156.53 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -47.56 -42.73 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -78.6 69.64 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.85 112.39 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.623 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -80.0 77.9 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.3 pt -117.36 155.9 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 103' ' ' GLU . 30.5 ttpt -126.17 166.94 16.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.648 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.16 136.67 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -114.35 173.09 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.6 -137.46 1.78 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.08 -3.12 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.524 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.2 m -46.0 120.91 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.74 128.05 34.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -120.85 130.09 53.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -152.07 153.24 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.515 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' C ' ' NE2' ' A' ' 82' ' ' GLN . 60.4 tt0 -106.92 152.28 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.42 ' NE2' ' C ' ' A' ' 81' ' ' GLN . 17.5 mm-40 -106.12 168.33 9.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -64.07 -36.99 85.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.691 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.01 -24.84 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.691 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.39 53.59 1.14 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.449 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.1 mt-10 -139.32 151.5 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -103.27 143.39 32.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.5 t -129.87 131.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.94 107.73 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -120.33 143.57 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.55 138.79 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 66.1 t -97.8 136.11 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.2 t -117.59 130.2 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -90.2 157.15 45.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.47 153.92 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.704 2.269 . . . . 0.0 112.124 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m 58.98 16.42 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -137.84 143.7 41.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.551 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 m -127.42 125.71 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -120.25 164.07 16.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.2 mmm -85.38 154.62 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.641 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -114.91 -103.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.473 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -124.14 157.47 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 72' ' ' LYS . 83.5 tt0 -135.7 156.08 49.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.33 -160.38 14.32 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -91.29 139.83 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.381 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.35 132.15 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.751 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' GLY . 3.4 t30 -138.76 121.04 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.89 98.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -146.2 157.14 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.746 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.463 ' HZ2' ' CG2' ' A' ' 64' ' ' THR . 0.8 OUTLIER -113.83 133.59 55.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.342 178.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 m -112.02 133.78 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -138.09 121.46 17.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.237 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.7 mtm -130.84 160.98 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.969 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -155.28 170.27 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.29 92.73 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.764 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.6 mt -88.81 165.86 25.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.468 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 4.0 Cg_exo -82.48 132.52 6.87 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.915 2.41 . . . . 0.0 112.17 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 mt -54.54 111.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.437 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -83.8 -174.49 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -57.05 -30.42 64.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.44 -38.15 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 34.1 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.393 179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 87.0 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.44 HG13 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.09 -57.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.6 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.55 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 83.2 m-20 -69.34 -26.13 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.62 -178.66 32.96 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.6 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 25.5 mmm-85 -105.06 139.78 20.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.514 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -47.07 145.45 7.41 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.827 2.351 . . . . 0.0 112.206 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.2 m -75.79 -32.29 59.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -91.58 138.61 31.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 158.79 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.53 -129.01 1.12 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -144.88 -66.58 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -88.09 127.63 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -122.79 131.55 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.81 143.5 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -83.77 135.16 34.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.68 -58.52 3.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -86.76 134.54 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.62 -4.83 57.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -102.65 160.42 14.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 57.01 -162.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.482 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.548 ' C ' ' H ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.68 43.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.561 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.25 -28.24 0.82 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.548 ' H ' ' C ' ' A' ' 34' ' ' ASN . 29.0 mt 61.65 -77.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.8 tp -103.88 131.22 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -109.4 128.88 55.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -82.71 111.56 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.61 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -97.14 128.04 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.506 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.61 129.44 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.598 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.82 101.66 10.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -55.19 -31.46 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.74 -65.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -91.88 -5.82 52.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.28 39.39 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -108.91 126.91 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -84.32 148.21 26.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.39 150.16 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -128.02 140.32 52.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.724 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -126.46 123.83 38.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.449 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -87.06 114.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.55 ' OD2' ' ND2' ' A' ' 16' ' ' ASN . 21.9 t70 -86.72 -36.2 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.8 p -62.14 133.36 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.559 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 p -103.42 8.03 38.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.564 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -111.34 -42.26 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.2 149.67 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.505 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.4 pt-20 -92.05 148.46 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.459 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.22 121.32 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.716 -179.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.505 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 41.4 m-70 -110.71 118.15 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.363 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.58 133.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.78 91.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.347 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.45 132.37 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -109.93 132.3 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.418 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -115.76 159.77 20.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.693 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.52 HD21 ' CG ' ' A' ' 68' ' ' ASP . 22.0 t30 -79.06 157.03 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -49.49 -50.9 39.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.556 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 53.9 p30 -73.22 72.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.566 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 31.5 m -153.84 114.86 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.618 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.1 t0 -75.18 82.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.466 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.3 pt -127.47 161.02 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 9.6 ttpp -148.25 160.21 43.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -86.35 153.61 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.64 -104.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 77' ' ' THR . . . -109.48 135.14 12.67 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -178.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 66.31 -55.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 110.488 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' GLY . 92.0 m -46.93 121.76 3.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -93.83 127.58 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.4 tp -110.19 132.35 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -150.77 146.3 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.49 152.63 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -107.54 169.54 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.686 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.53 -25.15 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.631 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.686 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.42 53.97 1.11 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' HB2' HD22 ' A' ' 84' ' ' ASN . 99.0 mt-10 -137.6 144.24 41.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.588 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -99.57 137.8 37.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.2 t -123.83 132.76 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.591 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.95 107.87 5.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.474 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -118.31 145.42 45.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -161.17 138.54 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.62 132.0 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.8 t -113.52 133.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.478 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -95.5 153.01 39.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.47 154.46 24.47 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.784 2.323 . . . . 0.0 112.064 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m 54.65 21.31 3.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -138.74 155.26 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -138.96 120.23 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -113.21 165.78 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.7 mmm -86.59 148.53 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -110.38 -103.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.476 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -129.72 162.56 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.551 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -134.94 -178.72 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.17 -160.65 20.71 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 70' ' ' ASP . 73.2 ttt-85 -95.15 142.39 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.431 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.27 135.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -148.41 117.58 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 25.3 p90 -152.93 155.36 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -105.43 133.2 50.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.292 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.2 m -114.06 135.61 53.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -136.97 116.85 13.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.224 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -125.42 162.56 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.017 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 38.1 t0 -158.27 171.57 19.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.299 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.05 88.8 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.55 161.89 46.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.451 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 12.6 Cg_exo -70.94 152.92 63.64 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.811 2.341 . . . . 0.0 112.162 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 mt -79.69 109.85 14.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.516 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.1 m -74.67 176.36 7.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -55.02 -30.65 59.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -54.68 -38.11 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.719 0.295 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.93 -58.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.614 -179.142 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.4 m-20 -64.3 -26.84 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.634 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.453 ' C ' ' HH ' ' A' ' 51' ' ' TYR . . . 166.62 158.47 11.22 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.594 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -89.94 154.2 47.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.505 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -76.69 132.58 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.836 2.357 . . . . 0.0 112.222 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -67.59 -30.75 70.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.515 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -105.66 130.93 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.45 126.72 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -106.77 -111.85 3.62 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -142.85 -59.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.305 . . . . 0.0 110.641 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -84.92 110.11 18.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -110.76 145.81 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.619 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.37 171.61 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -127.52 101.65 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.05 -68.66 0.6 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -74.75 129.48 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.581 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -86.07 7.21 25.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -104.68 157.78 16.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 57.0 -171.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 34' ' ' ASN . 2.4 m120 -50.79 -32.94 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.63 -23.92 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 22.4 mt 61.38 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.592 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' GLY . 58.7 tp -108.16 126.73 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -112.37 126.04 54.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -87.63 126.34 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mt -114.84 128.21 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.46 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.2 t -131.13 127.99 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -106.97 102.8 12.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.8 -29.9 55.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -69.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -90.62 -4.22 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 55.35 34.68 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -103.14 126.59 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -83.98 145.58 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.6 152.73 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.97 143.22 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.784 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.453 ' HH ' ' C ' ' A' ' 17' ' ' GLY . 64.5 t80 -125.76 128.71 48.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.592 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 20.3 t-20 -95.44 139.01 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.624 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 54' ' ' THR . 28.1 p-10 -113.44 -40.58 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.576 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.28 117.47 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.471 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 43.3 p -90.73 7.87 37.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -120.61 -19.86 7.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.64 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -134.26 141.52 47.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.649 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.597 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.5 pm0 -91.63 145.73 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.46 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.592 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -95.98 116.92 29.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.417 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 22.0 m-70 -95.03 126.55 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.375 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.61 129.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.778 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.7 tp -142.55 91.76 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.331 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.18 134.5 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.0 m -110.86 138.27 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.394 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.97 166.33 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.702 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.54 HD21 ' CG ' ' A' ' 68' ' ' ASP . 24.2 t30 -84.34 156.71 21.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -49.23 -51.71 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.57 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 48.0 p30 -74.81 74.98 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.584 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 35.4 m -153.55 114.45 4.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.88 80.7 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -123.45 153.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -130.03 175.25 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.666 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.23 135.67 49.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.497 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' GLY . 75.5 mt -101.36 -98.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.17 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -63.3 2.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.536 ' H ' ' C ' ' A' ' 75' ' ' GLY . 97.8 m -49.93 116.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -77.78 120.43 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.4 tp -115.21 130.58 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -155.43 156.85 36.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.33 151.27 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -104.05 168.36 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.12 -35.25 80.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.682 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -60.9 -25.46 66.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.682 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 100.99 56.62 0.88 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HB2' HD22 ' A' ' 84' ' ' ASN . 96.6 mt-10 -143.97 150.03 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.66 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -103.87 136.5 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.4 139.67 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.5 103.22 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.0 p -114.69 144.07 44.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.75 143.25 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.481 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.5 135.53 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -112.96 130.32 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -94.63 151.01 38.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.31 149.71 89.74 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.792 2.328 . . . . 0.0 112.184 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 t 63.6 20.06 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -146.56 134.08 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.528 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 m -111.93 135.15 52.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -128.5 157.49 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.3 mtp -82.66 154.41 24.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.5 -101.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.477 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -131.53 160.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -133.81 -177.62 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.81 -157.98 20.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.95 146.91 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 110.439 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -132.96 137.64 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.584 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.4 p30 -139.71 122.38 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.5 97.96 0.01 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -138.54 157.76 45.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -108.17 130.42 55.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.357 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 m -114.44 132.54 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -137.43 126.24 24.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.211 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.415 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -135.33 166.4 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 7.2 t70 -156.33 169.9 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -120.98 93.33 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.748 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.414 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 7.6 mt -91.96 151.49 42.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.472 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 132.95 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.861 2.374 . . . . 0.0 112.158 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.48 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.6 mt -51.65 114.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.402 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.7 m -83.65 -171.54 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.55 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.96 -31.74 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -54.98 -41.02 70.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.51 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 62.6 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.639 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD ' ' A' ' 19' ' ' PRO . 52.1 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.762 0.315 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG13 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.53 -57.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.615 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.3 m-20 -67.24 -27.29 67.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.95 171.41 30.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -92.76 148.87 36.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.562 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CE2' ' A' ' 14' ' ' TYR . 52.1 Cg_endo -71.23 137.69 31.74 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.821 2.347 . . . . 0.0 112.243 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -75.07 -10.81 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -120.61 137.71 54.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.92 126.11 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 -105.17 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -146.42 -57.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -94.95 128.14 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -122.16 135.39 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.14 131.72 30.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -85.76 118.65 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -79.65 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -83.24 122.02 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.603 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.18 -28.83 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -63.87 156.45 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.466 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.97 -159.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -82.03 20.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 99.39 -21.55 44.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 27.5 mt 60.24 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 110.598 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.1 tp -112.22 133.68 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.626 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -104.72 127.69 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -85.56 97.87 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -87.8 131.19 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.506 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.4 t -135.91 126.11 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 12.5 t-20 -104.81 100.74 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HZ3' ' CB ' ' A' ' 43' ' ' LYS . 9.6 mtmp? -54.14 -29.54 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.79 -70.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.4 mttp -90.8 -4.19 56.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 56.28 32.89 21.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.09 124.16 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.411 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 40.2 m0 -84.74 145.43 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.77 151.02 39.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.421 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -127.56 138.5 52.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.732 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -121.59 120.3 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -87.81 132.59 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.552 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 25.5 p-10 -109.31 -38.18 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.4 p -57.55 123.57 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.519 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 72.7 p -96.95 9.69 41.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.676 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.519 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -123.11 -15.31 7.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.83 146.43 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.8 pt-20 -93.14 146.46 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.36 118.33 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 -179.462 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.467 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 50.5 m-70 -106.26 121.03 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.329 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.6 t -104.85 133.11 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.791 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 tp -142.57 92.07 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.33 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 134.56 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.2 m -112.51 135.47 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -118.87 163.82 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.683 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.9 t30 -80.9 155.75 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.587 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -49.34 -46.21 46.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.2 m-20 -77.69 72.25 4.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.3 114.66 4.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -75.59 81.8 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.14 161.83 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 -173.22 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.11 137.27 51.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 75' ' ' GLY . 71.2 mt -99.99 -97.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.52 -148.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -69.46 0.75 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 110.485 -179.672 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.2 m -49.16 119.18 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -80.99 121.85 26.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.4 tp -116.25 129.48 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -152.06 152.91 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -108.25 150.97 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -106.02 167.0 10.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.82 -36.67 81.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.687 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.43 -25.31 67.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.687 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 98.85 54.39 1.13 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HB2' HD22 ' A' ' 84' ' ' ASN . 80.7 mm-40 -135.63 141.58 45.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 110.673 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -98.32 131.96 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.6 t -119.77 133.89 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.44 104.29 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -116.47 144.57 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.4 142.01 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.54 133.56 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.94 129.92 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.39 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -90.8 157.58 43.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.497 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.82 154.14 75.15 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.718 2.279 . . . . 0.0 112.066 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.2 m 60.0 17.33 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -143.23 145.92 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.494 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -124.77 138.85 54.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -132.57 158.32 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.683 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.7 mtp -83.26 154.56 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.56 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.93 -101.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.439 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.2 pp -128.14 159.7 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.4 tt0 -138.38 153.23 48.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 127.3 -160.09 21.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -92.76 137.12 32.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.44 136.48 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.736 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 8.5 p30 -140.01 121.75 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.263 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.56 97.88 0.01 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -137.18 155.63 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.695 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -106.4 125.14 50.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.362 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -109.21 136.93 47.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -136.61 118.17 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 79.0 mtm -125.03 171.09 10.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.6 t0 -166.59 172.62 10.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.35 87.44 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.715 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.46 150.66 51.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.09 149.51 58.55 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.794 2.329 . . . . 0.0 112.161 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.98 119.7 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.386 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.7 m -86.67 -177.38 6.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.48 -26.02 64.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.75 -41.72 87.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.486 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.441 179.579 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.735 0.302 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.83 -57.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.7 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 83.0 m-20 -71.12 -24.57 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.645 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.51 170.73 24.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -100.35 133.25 21.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -46.73 147.47 4.56 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.773 2.316 . . . . 0.0 112.235 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -78.69 -7.47 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -122.62 136.15 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.83 127.62 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.505 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.28 3.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -146.34 -58.3 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.377 . . . . 0.0 110.644 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -94.46 129.47 41.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -118.49 137.66 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -144.26 133.39 22.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.681 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -89.21 138.42 31.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.42 -71.95 1.14 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -74.92 136.16 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.612 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -93.49 55.51 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -144.99 144.89 31.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.2 t0 62.99 -138.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.528 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 80.8 m-20 -86.57 10.03 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.83 -23.26 32.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt 60.47 -75.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.642 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 61.1 tp -100.81 131.1 46.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.06 131.69 55.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.476 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 27' ' ' THR . 57.7 ttp180 -89.84 103.34 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -91.16 129.37 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.56 127.35 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.6 t-20 -105.9 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -54.61 -32.21 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.82 -70.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -94.56 -3.82 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 58.34 32.82 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -97.27 129.99 44.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.486 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -85.42 141.31 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -138.28 144.13 40.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.357 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -122.16 136.42 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.74 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -125.14 123.79 40.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -87.47 114.88 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.547 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 30.1 t70 -83.78 -39.22 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.497 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 p -58.73 129.19 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.687 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 27.8 p -102.61 17.55 23.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.687 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.79 -17.34 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.648 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -135.87 145.99 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.3 pm0 -91.87 136.67 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -87.98 116.82 26.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.624 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.406 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 25.6 m-70 -95.5 130.08 42.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.2 t -106.96 127.33 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.9 tp -143.31 92.8 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.32 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.82 133.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.6 m -108.96 138.92 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -122.18 164.2 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.734 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.9 t30 -85.89 155.43 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.62 -44.93 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 90.7 m-20 -76.99 69.73 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.489 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.8 m -153.89 112.37 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.14 81.78 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.44 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.3 pt -123.0 159.66 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 47.3 tttp -134.99 164.24 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.403 ' N ' ' HG2' ' A' ' 72' ' ' LYS . . . -97.76 142.32 29.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt -119.69 166.89 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.51 -132.58 15.54 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -93.88 -7.53 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 110.533 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -44.38 124.21 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.506 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -85.88 130.02 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 tp -121.21 128.91 52.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -151.05 148.63 28.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -103.59 148.82 25.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -101.54 169.32 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -65.22 -37.65 87.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.697 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -57.54 -24.7 57.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.593 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.697 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 100.55 51.63 1.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.4 mt-10 -138.84 151.9 47.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.555 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -103.55 140.49 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.2 t -124.39 133.46 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.14 106.72 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.0 p -119.94 144.39 47.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -161.89 137.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.475 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.13 136.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.8 t -116.8 127.5 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -90.03 153.72 47.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.92 151.5 64.86 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.687 2.258 . . . . 0.0 112.123 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 32.3 m 58.41 32.73 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.442 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 99' ' ' GLU . 62.4 tt0 -149.34 155.64 40.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -138.37 118.46 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 73.3 mm-40 -115.16 163.69 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.658 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 87.5 mmm -83.78 154.41 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -117.4 -100.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -130.9 156.78 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -132.92 -177.4 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.54 -156.0 20.22 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -96.86 144.69 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.494 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.62 137.52 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.739 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -144.6 119.31 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.33 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.39 101.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -144.04 158.63 43.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.781 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -106.81 127.88 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.28 179.163 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -112.84 135.94 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -141.94 124.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.261 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -135.4 165.08 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.7 t70 -155.7 169.24 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.334 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.89 93.54 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.757 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.98 151.72 43.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.483 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.471 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 134.12 17.46 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.839 2.359 . . . . 0.0 112.101 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.412 ' CD2' ' OE1' ' A' ' 58' ' ' GLU . 13.9 mt -54.33 121.04 7.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.0 m -95.14 -163.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -62.93 -33.13 74.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.73 -39.33 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.0 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.716 0.293 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.18 -52.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.3 m-20 -80.78 2.3 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.646 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.65 165.28 11.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -93.46 137.97 23.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.479 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -44.33 148.52 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -74.73 -28.18 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -94.09 141.61 28.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.55 158.19 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.71 -143.03 3.57 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -139.05 -66.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -76.84 112.68 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.622 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.35 130.87 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 t -146.48 159.47 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -97.54 134.27 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.2 -66.5 2.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -80.18 146.19 31.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.549 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -87.72 8.93 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -98.35 157.26 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 50.38 -169.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.519 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.92 -33.48 50.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.569 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 157.52 -18.42 0.37 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 33.0 mt 60.29 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.829 0.347 . . . . 0.0 110.621 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.0 tp -105.34 130.59 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -110.85 129.45 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.466 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -89.06 103.28 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.3 mt -95.37 125.81 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.65 132.44 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.582 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.1 t-20 -110.1 102.07 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -55.51 -29.7 59.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HZ1' ' CE ' ' A' ' 45' ' ' LYS . 23.9 ttpp -53.83 -54.34 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.6 ' CE ' ' HZ1' ' A' ' 44' ' ' LYS . 88.7 mttt -107.0 -2.07 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER 55.67 28.81 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -97.34 124.84 41.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.478 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -82.55 147.82 28.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.2 146.32 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.47 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -124.36 139.62 53.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.749 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -127.78 128.48 45.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.3 t-20 -94.34 124.68 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 54' ' ' THR . 30.4 p-10 -96.48 -37.78 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.557 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.91 118.75 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -88.42 2.42 52.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.659 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.499 ' CD ' ' HH ' ' A' ' 57' ' ' TYR . 7.7 tt0 -109.18 -43.97 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.499 ' HH ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -115.49 146.08 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.639 -179.607 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.618 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.9 pm0 -92.16 149.05 21.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.608 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -97.21 117.81 32.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.329 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.413 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 20.8 m-70 -97.33 126.65 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.359 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.8 t -102.4 130.44 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.6 tp -142.83 91.45 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.32 130.0 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -107.92 134.85 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.402 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -118.26 165.59 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.695 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 41.3 t30 -80.53 154.96 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.584 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -47.55 -49.81 25.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.7 t70 -78.33 78.81 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.518 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.9 m -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' ARG . 66.1 m-20 -77.85 81.08 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.408 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.5 ttmt -129.48 163.44 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.46 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -103.08 131.93 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 mt -109.98 169.6 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.625 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.8 -137.54 1.85 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -84.98 -2.6 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.509 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -45.11 113.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.541 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -82.57 122.5 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.503 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.0 tp -117.18 130.47 56.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -152.9 155.04 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.497 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -105.56 151.8 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -103.96 168.03 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -65.09 -36.41 84.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.669 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.49 -25.64 67.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.669 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.29 59.24 0.8 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.3 mt-10 -144.47 151.95 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.334 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -104.0 139.33 39.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.505 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.9 t -127.72 134.4 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.32 105.34 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.498 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -116.52 144.66 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.69 147.26 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.482 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.2 t -101.96 134.77 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.3 t -112.85 128.91 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.486 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -92.48 153.16 42.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.546 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 19.0 Cg_endo -58.73 161.17 15.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.742 2.295 . . . . 0.0 112.094 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 11.5 p 43.5 28.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -148.79 129.18 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -108.41 136.76 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.509 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -128.37 164.16 23.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.94 155.45 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -118.21 -103.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.47 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -124.64 155.74 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 72' ' ' LYS . 82.1 tt0 -133.78 158.14 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' N ' ' CG ' ' A' ' 103' ' ' GLU . . . 118.01 -160.41 13.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ASP . 61.8 ttt180 -92.58 141.58 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 110.426 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.08 136.99 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.73 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -148.84 117.87 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.05 99.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -152.59 156.84 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.736 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -110.01 135.58 50.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.327 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -114.47 134.35 55.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -139.59 126.0 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.303 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -132.68 171.72 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -163.33 171.83 15.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.426 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.16 94.62 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.738 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.428 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 6.2 mt -92.19 152.1 42.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.456 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 59.0 Cg_endo -73.8 132.0 16.55 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.84 2.36 . . . . 0.0 112.134 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.431 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 15.7 mt -52.63 115.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.9 m -85.63 -171.01 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.679 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -62.49 -26.8 68.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.486 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 20.2 pt-20 -58.26 -41.64 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' N ' ' CG ' ' A' ' 121' ' ' GLU . 46.3 t80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.443 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.722 0.296 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 HG11 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.07 -60.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.624 -179.097 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.4 m-20 -64.16 -27.28 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.97 162.61 17.7 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -91.43 150.29 41.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.509 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.13 137.76 35.13 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -74.78 -4.62 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -128.67 138.93 52.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.55 127.17 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.601 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.95 -111.14 3.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -145.89 -60.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.556 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.17 116.81 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.71 135.97 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 172.27 13.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -119.45 98.4 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.51 -71.2 0.28 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -75.75 134.5 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -88.74 5.2 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 20.3 tptp -102.57 150.11 23.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.509 ' C ' ' H ' ' A' ' 35' ' ' GLY . 73.8 m-20 58.36 -162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.525 ' C ' ' H ' ' A' ' 36' ' ' LEU . 19.5 t-20 -71.37 40.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.583 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 33' ' ' ASP . . . 73.32 -21.47 1.1 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' A' ' 34' ' ' ASN . 46.9 mt 60.53 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.665 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.2 tp -103.46 135.43 45.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.634 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.23 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -89.66 99.92 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.2 mt -89.57 131.7 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -133.7 127.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.44 104.52 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.17 -32.43 66.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -50.18 -55.71 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 30.4 mmtp -107.12 -5.08 18.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 57.71 31.1 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.715 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -98.06 124.53 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.8 m0 -82.1 144.8 30.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.6 145.94 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.417 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -122.68 138.18 54.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.716 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -122.5 128.94 51.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.462 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.443 ' OD1' ' OG1' ' A' ' 54' ' ' THR . 57.9 t-20 -95.7 120.29 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.632 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 20.3 p-10 -86.91 -37.43 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.503 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 36.1 p -57.31 165.41 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.8 p -128.69 7.02 5.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' CG ' ' CE2' ' A' ' 57' ' ' TYR . 9.3 pt20 -139.95 2.77 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 80.8 m-85 -126.18 130.8 51.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.525 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 6.6 pt-20 -91.68 133.68 35.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.496 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.24 123.74 35.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 -178.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.525 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 41.9 m-70 -109.75 118.17 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -98.86 132.2 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.75 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.0 tp -142.43 93.13 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.334 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.94 135.24 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -108.25 140.88 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.32 166.33 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.7 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.7 t30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.8 -51.62 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 86.3 m-20 -78.85 79.19 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.588 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 39.1 m -153.96 114.52 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.9 t0 -76.73 81.55 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -122.54 156.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 103' ' ' GLU . 15.1 ttmt -130.55 162.83 28.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -101.93 132.75 47.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.61 172.22 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.18 -138.57 1.8 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.8 5.93 47.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.51 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -49.75 121.06 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -79.97 126.48 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.4 tp -121.98 129.16 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -153.01 148.0 26.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -102.52 150.9 22.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -104.99 169.04 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -64.79 -38.01 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.683 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.93 -24.57 53.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.683 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.98 52.91 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.3 mt-10 -140.43 151.0 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.57 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -104.27 132.89 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.507 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.85 135.76 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.72 110.42 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.6 p -124.5 145.42 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.8 142.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 33.6 t -101.14 134.45 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.77 130.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.45 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.63 151.9 41.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.536 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.07 152.51 79.18 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.811 2.34 . . . . 0.0 112.038 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.6 t 61.0 28.04 17.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -156.02 156.06 33.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 m -128.29 137.76 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -128.49 158.37 38.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mmm -87.2 155.1 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.585 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 17.8 t80 -116.38 -103.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -122.07 161.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.4 tt0 -141.83 154.64 45.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.7 -156.51 16.57 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 37.6 ttm180 -96.6 141.65 29.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 110.523 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.18 137.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.801 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.588 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.8 p30 -137.37 122.27 18.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.47 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.73 156.44 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.767 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -108.54 129.26 55.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.275 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -110.91 135.53 51.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -137.17 125.87 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.246 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -133.33 167.25 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.972 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 37.1 t0 -153.31 172.31 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.474 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.97 88.98 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.729 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.84 157.14 36.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.488 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.431 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 74.1 Cg_endo -78.19 139.79 17.13 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.899 2.399 . . . . 0.0 112.131 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.0 mt -41.35 102.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.445 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 171.14 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.98 -30.09 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.396 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -59.39 -36.14 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 62.2 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.315 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.18 -51.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.551 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 80.4 m-20 -80.82 0.76 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.3 160.36 10.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.662 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -95.37 144.74 28.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 41.1 Cg_exo -55.56 149.95 45.67 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.778 2.319 . . . . 0.0 112.198 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -82.68 -16.96 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 80.1 t80 -111.35 147.51 34.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.6 ' CG2' ' H ' ' A' ' 23' ' ' GLY . 10.6 p -134.05 176.78 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.6 ' H ' ' CG2' ' A' ' 22' ' ' VAL . . . -160.18 -109.55 0.25 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CD ' ' HZ1' ' A' ' 43' ' ' LYS . 87.1 tt0 -150.91 -60.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.603 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -89.58 110.45 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.6 135.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -135.94 171.34 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 31' ' ' GLU . 11.9 pttp -117.06 96.18 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -38.89 -66.9 0.61 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -81.39 118.79 22.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 0.0 110.61 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 78.0 mm-40 -68.94 -31.68 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.0 158.3 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 55.06 -172.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.454 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -54.46 -35.56 63.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.52 -23.14 0.35 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt 60.78 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.339 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.5 tp -113.13 127.76 56.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -109.67 125.36 52.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.533 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -79.57 127.74 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.5 mt -113.21 129.49 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.476 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.7 t -133.42 127.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.7 t-20 -108.76 101.91 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HZ1' ' CD ' ' A' ' 24' ' ' GLU . 60.9 mttp -53.71 -31.88 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.626 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -52.88 -66.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.604 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 57.1 mmtt -94.44 -11.09 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 63.34 30.8 15.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 -179.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -96.77 127.51 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -88.65 145.23 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.37 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -122.35 139.17 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.775 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -123.64 121.18 34.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -86.06 115.43 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.668 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.551 ' OD2' ' ND2' ' A' ' 16' ' ' ASN . 25.5 t70 -88.73 -37.85 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.461 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 p -58.59 125.39 23.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.661 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 33.1 p -99.81 16.79 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.661 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -130.02 -15.62 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -134.3 148.59 50.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.528 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 4.5 pt-20 -93.22 144.01 25.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.98 125.81 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.698 -179.188 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.528 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 47.7 m-70 -112.61 125.7 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.2 t -109.16 132.1 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.819 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 tp -144.09 92.77 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.317 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 65' ' ' PHE . 31.1 t -112.14 132.71 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.749 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -105.2 141.08 37.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.337 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CZ ' ' CG1' ' A' ' 63' ' ' VAL . 19.4 m-85 -126.93 163.5 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.528 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.8 t30 -89.93 152.39 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.561 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -43.07 -45.46 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 61.7 t0 -68.98 81.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.528 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.2 p -164.73 138.08 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.57 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -100.55 51.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 pt -100.17 157.49 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.619 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.22 -170.33 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.16 139.77 46.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.2 mt -100.95 -100.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.67 -140.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.83 -3.93 25.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 110.465 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -45.28 116.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -77.89 123.16 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.1 tp -117.32 130.97 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -156.0 147.59 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -103.14 150.71 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.632 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -107.88 170.94 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.542 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.82 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.696 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.79 -24.62 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.696 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.3 44.23 2.4 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.6 mt-10 -131.01 153.19 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.336 . . . . 0.0 110.578 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -105.36 132.0 52.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.482 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.0 t -108.46 128.62 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.99 101.88 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.6 p -119.46 144.23 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.644 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -162.21 142.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.444 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.33 132.95 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 t -114.72 130.72 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -90.87 156.37 44.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.456 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.49 153.06 69.03 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.723 2.282 . . . . 0.0 112.098 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.6 m 61.46 19.65 10.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -143.45 146.89 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -126.64 125.42 41.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -118.85 155.84 30.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.4 mtp -80.85 154.29 27.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -112.98 -95.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.533 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.457 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.3 pp -133.63 163.9 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.585 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.3 tt0 -142.75 156.15 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.54 -154.98 18.75 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -96.93 135.27 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.11 136.11 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.743 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 2.6 p-10 -147.02 116.98 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.351 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 54.65 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -155.55 161.73 40.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -115.27 132.54 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.352 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -115.23 134.21 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -134.94 110.49 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -118.21 162.05 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -154.86 173.43 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.349 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.473 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.07 88.43 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.64 151.15 47.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.6 139.46 37.36 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.813 2.342 . . . . 0.0 112.138 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.1 mt -45.7 98.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.48 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.0 m -65.08 169.25 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.02 -28.48 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.4 -35.56 76.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.429 179.676 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.722 0.296 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -135.46 -57.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.5 m-20 -67.32 -27.61 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.79 170.32 28.54 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -89.36 149.26 42.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.48 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.28 135.92 23.39 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.808 2.339 . . . . 0.0 112.17 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 m -65.69 -32.02 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.6 138.65 42.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.16 133.84 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.52 -116.89 3.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -136.91 -61.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.586 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.63 128.01 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.72 137.82 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -133.45 171.38 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.409 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.0 95.45 5.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.41 -66.68 0.91 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -80.7 127.41 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -74.52 -18.33 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -76.7 156.64 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 53.72 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -54.03 -35.53 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.36 -19.48 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt 61.22 -78.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.65 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.9 tp -106.98 131.51 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -109.01 125.18 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -81.02 101.72 9.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -89.73 130.52 38.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -136.08 128.36 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.597 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -105.18 102.13 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -53.27 -32.26 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.68 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -52.49 -68.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 65.1 mmtt -93.82 -6.47 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 58.65 32.85 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.65 121.39 38.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.471 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.3 m0 -82.1 145.64 30.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.89 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.463 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -126.29 138.1 53.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.771 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -120.05 116.82 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.481 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -84.92 124.22 31.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.554 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 16.0 p-10 -103.82 -36.54 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.524 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.5 p -60.72 115.51 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.3 p -85.68 -4.91 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.2 tt0 -100.26 -43.97 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.462 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.2 m-85 -114.49 146.72 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.624 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.7 pm0 -91.55 146.73 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.447 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.11 119.57 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.727 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.42 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 28.4 m-70 -103.02 123.03 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.373 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.4 t -103.74 127.05 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.7 tp -142.3 91.55 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.375 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -114.83 132.43 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.808 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -109.63 135.68 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.393 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.07 161.09 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.734 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.498 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.0 t30 -84.15 160.52 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.585 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.72 -45.68 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.585 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 59.5 t0 -73.11 67.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 24.3 m -154.28 107.25 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.05 78.55 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.504 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.43 162.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' CB ' ' HZ3' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -143.22 -170.77 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.62 139.82 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.529 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' GLY . 94.3 mt -100.04 -97.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.601 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.99 -140.42 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -2.31 26.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.533 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -47.41 120.47 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -82.5 121.47 26.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -113.84 129.66 56.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -151.97 148.07 27.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -104.51 150.14 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -103.5 169.18 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -65.05 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.701 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.85 -24.52 52.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.701 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 100.11 51.6 1.24 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.7 mt-10 -139.31 151.23 46.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.57 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -104.65 141.9 35.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.83 135.4 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.596 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 106.35 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.1 p -117.29 143.02 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -162.32 141.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.491 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.96 134.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -114.34 129.73 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -93.34 151.94 40.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.33 152.49 66.56 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.732 2.288 . . . . 0.0 112.077 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.9 m 65.05 8.68 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.541 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -136.89 143.42 42.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.38 136.94 54.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -130.96 159.07 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.9 mmm -83.62 150.99 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -106.41 -101.14 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -129.53 161.95 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.8 tt0 -137.22 157.07 47.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.69 -163.61 15.07 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -88.77 140.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.707 0.289 . . . . 0.0 110.523 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.22 135.65 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 6.3 p-10 -147.29 118.35 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.354 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 53.62 102.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -148.89 159.09 44.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.787 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -106.8 129.5 54.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.377 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.8 m -117.39 133.33 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -137.93 123.15 19.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.231 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.1 mtm -129.36 163.85 24.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.953 0.406 . . . . 0.0 110.983 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 32.3 t0 -156.07 170.43 22.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 93.25 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.771 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.431 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 5.5 mt -90.1 151.36 44.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.4 Cg_endo -74.73 131.22 14.37 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.774 2.316 . . . . 0.0 112.154 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.468 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 14.9 mt -52.33 105.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.8 m -81.71 -177.8 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -54.73 -28.85 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.469 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -38.6 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.465 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.366 179.608 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.83 0.348 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG11 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -58.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.658 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 68.7 m-80 -64.05 -28.39 69.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 -178.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.1 170.65 30.34 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -91.72 149.74 39.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.04 136.41 24.74 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.843 2.362 . . . . 0.0 112.166 179.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -74.22 -11.83 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.522 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -124.58 129.23 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.57 125.82 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.53 -107.38 3.21 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -143.81 -56.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -90.25 120.91 31.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.576 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -122.55 140.29 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -136.17 172.58 12.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -127.41 96.92 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -37.35 -69.1 0.32 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.34 129.74 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.615 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.589 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 10.7 pm0 -81.54 -5.56 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.622 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -89.93 154.44 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 59.02 -158.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 36' ' ' LEU . 21.2 m120 -81.28 41.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 75.05 -32.15 1.09 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 34' ' ' ASN . 24.5 mt 61.99 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' GLY . 50.1 tp -99.25 128.92 45.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.646 -179.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -112.67 136.87 51.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -99.31 101.31 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.1 mt -92.33 130.45 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.526 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.2 t -131.5 127.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -107.53 105.62 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.483 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.16 -27.8 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.635 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -51.74 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -106.35 0.2 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.62 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.5 mmtm 56.16 32.34 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -96.21 127.23 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -86.19 142.63 28.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -140.31 147.64 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.433 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.99 135.86 53.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -118.09 121.3 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.2 t-20 -91.32 134.12 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.667 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 54' ' ' THR . 24.2 p-10 -108.53 -38.02 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.429 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.533 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 9.1 p -58.53 118.82 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.5 p -88.03 -9.98 51.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.658 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.6 tt0 -94.41 -45.17 7.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -113.56 151.15 32.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.672 -179.57 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.22 150.47 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 178.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.95 119.8 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.43 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -103.74 128.52 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.37 179.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.9 t -108.02 130.03 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 tp -142.2 92.64 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.2 t -115.85 132.84 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.4 m -110.59 135.38 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.336 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -118.59 156.28 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.875 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.1 t30 -79.86 159.23 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -48.91 -41.15 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.566 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.8 t70 -79.79 70.4 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 26.8 m -154.21 113.4 3.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.78 78.2 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.424 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -120.4 156.39 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -137.88 160.49 39.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.597 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.83 138.81 31.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.507 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.1 mt -103.94 -98.59 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.212 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.09 -148.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -69.21 -2.89 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 0.0 110.472 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -46.36 117.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 -179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.11 123.65 27.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.8 tp -117.54 129.89 56.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.71 154.21 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -107.88 150.71 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -103.98 168.93 8.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -37.06 86.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.654 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.49 -24.83 61.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.638 -179.736 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.654 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 100.11 54.43 1.03 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.449 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.3 mt-10 -141.02 152.55 44.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 110.634 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -105.71 139.64 39.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.76 137.52 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.31 105.63 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -117.86 144.09 45.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -178.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.35 143.29 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.479 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.7 t -99.53 137.25 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.22 130.93 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -90.63 160.36 39.01 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.513 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.52 158.3 57.76 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.779 2.319 . . . . 0.0 112.117 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.3 t 55.87 13.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -135.97 151.14 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 m -129.24 135.04 48.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -129.06 163.29 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.52 155.24 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -114.48 -96.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.057 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -135.79 159.35 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -133.78 157.95 44.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 122.68 -161.44 16.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -94.77 139.34 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.44 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.62 135.3 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 5.4 p-10 -144.74 118.96 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.347 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.61 100.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -146.15 159.58 43.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -106.03 128.03 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.338 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -112.46 135.11 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -141.56 124.94 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.172 178.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -134.35 169.25 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.954 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -165.39 172.94 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.13 89.49 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.792 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.11 151.25 42.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.491 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.09 161.72 0.96 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.836 2.357 . . . . 0.0 112.155 178.043 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.98 108.33 16.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.2 m -67.17 170.0 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -54.45 -29.11 48.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -54.85 -38.69 67.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.497 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.705 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.08 -51.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.221 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.6 m-20 -81.8 2.83 28.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -178.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.15 162.96 11.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -91.92 139.21 24.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.476 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.85 142.75 4.89 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.818 2.345 . . . . 0.0 112.191 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -73.24 -30.0 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 179.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 89.4 t80 -94.15 141.27 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -109.62 160.55 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.86 -133.97 1.59 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -136.68 -71.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.609 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -82.35 128.03 33.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.37 134.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -138.98 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.08 139.86 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -71.86 1.1 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -83.29 124.11 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.643 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.36 -26.7 63.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -59.67 154.54 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.565 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 35.2 t0 62.83 -145.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.565 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 11.0 t-20 -93.83 6.23 49.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.14 -20.53 10.53 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 28.2 mt 58.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.8 tp -106.37 129.19 54.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -107.38 123.74 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.531 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.0 ttp180 -80.54 122.78 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -109.52 130.85 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.516 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.32 129.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -105.13 100.93 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.544 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.67 -25.84 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.701 -179.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.659 ' HZ2' ' NZ ' ' A' ' 45' ' ' LYS . 22.3 ttpp -56.51 -66.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.623 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.659 ' NZ ' ' HZ2' ' A' ' 44' ' ' LYS . 34.6 mmtm -102.14 -1.6 31.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.596 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 42' ' ' ASN . 6.9 mmmt 55.53 38.44 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.705 -179.601 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -97.3 124.81 41.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.455 179.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 40.1 m0 -81.08 142.7 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.11 34.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.41 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -124.44 134.07 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -179.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -120.12 125.78 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 179.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.0 t-20 -91.07 130.04 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.265 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.555 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 26.6 p-10 -101.53 -37.97 8.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.542 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.9 p -58.21 118.3 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.475 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 71.9 p -90.68 11.49 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -125.42 -14.61 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.655 -179.871 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.3 m-85 -136.78 142.35 42.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.583 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 12.6 pm0 -91.95 149.31 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.617 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -97.68 121.84 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.714 -179.573 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.42 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 23.1 m-70 -103.05 126.15 50.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.36 128.14 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -142.55 91.69 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.314 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.9 t -114.58 131.58 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -110.01 133.57 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.91 163.9 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t30 -81.86 154.83 25.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -47.18 -49.34 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.6 73.39 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.8 m -154.33 115.92 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ARG . 16.3 t70 -78.18 80.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.465 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.1 pt -122.81 156.26 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.556 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.3 mtpt -128.95 166.92 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.79 135.93 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 mt -113.23 173.45 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.93 -139.17 2.17 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.01 4.26 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -50.77 122.52 7.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -81.98 129.25 34.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.0 tp -124.3 128.57 49.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -147.92 157.7 43.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -98.52 151.0 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 73.3 mm-40 -96.96 175.03 6.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -74.59 -36.16 63.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.623 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -77.76 0.73 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.314 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.623 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 83.63 68.36 1.42 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -144.74 156.21 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.607 178.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -111.15 136.93 49.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.6 t -127.64 137.19 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.64 109.53 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.511 179.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.1 p -119.47 141.83 48.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.65 139.21 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.512 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.8 t -95.34 135.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.72 135.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.437 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -99.22 152.62 37.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.57 145.0 99.58 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 0.0 111.982 -178.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 6.9 m 62.07 23.24 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -144.04 125.35 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -106.31 126.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -119.63 160.21 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.0 mmm -83.98 153.77 23.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.66 -103.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.538 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.465 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -124.66 156.1 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 6.0 tm-20 -135.53 158.15 45.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.09 -158.84 14.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASP . 72.6 ttt-85 -92.99 140.65 29.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.5 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.77 136.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -149.18 116.49 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.55 100.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 24.2 p90 -153.06 158.44 41.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.761 -179.448 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HZ1' ' CB ' ' A' ' 110' ' ' LYS . 9.6 mtmp? -108.98 134.08 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.373 179.009 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -116.15 134.23 55.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -178.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -137.0 124.64 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.206 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.9 mtm -131.53 169.31 16.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.989 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.4 t0 -164.9 170.65 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.304 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.74 91.49 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.756 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.1 mt -87.31 166.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.512 -179.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 3.0 Cg_exo -83.6 134.18 6.41 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.783 2.322 . . . . 0.0 112.049 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.4 121.19 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.411 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -94.48 -162.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -64.87 -30.86 71.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.92 -53.4 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 43.1 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 179.524 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.751 0.31 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.1 -57.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.596 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.7 m-20 -66.35 -27.75 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.657 -179.007 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.23 170.71 29.53 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -91.47 149.54 39.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.545 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -70.98 133.66 23.79 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.82 2.346 . . . . 0.0 112.226 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p -71.25 -16.43 62.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.6 145.6 45.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.565 ' CG2' ' H ' ' A' ' 23' ' ' GLY . 7.5 p -137.6 176.17 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.565 ' H ' ' CG2' ' A' ' 22' ' ' VAL . . . -160.8 -109.46 0.25 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -149.4 -61.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -88.84 110.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.2 t -109.94 138.21 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -138.54 166.16 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -121.47 107.87 12.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.25 -70.01 0.52 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -87.13 121.63 29.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.622 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.52 -27.04 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.593 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -68.85 161.95 27.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.516 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 35' ' ' GLY . 69.4 m-20 58.47 -161.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.412 HD21 ' CG1' ' A' ' 15' ' ' VAL . 43.2 p-10 -79.56 18.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.69 -26.52 24.16 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 22.4 mt 62.54 -68.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.0 tp -122.31 133.42 54.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.18 130.71 54.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.3 ttp180 -88.86 109.48 20.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.612 179.485 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.445 HD13 HG22 ' A' ' 40' ' ' ILE . 64.6 mt -97.84 134.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.522 -179.473 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.23 123.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.0 t-20 -104.88 103.79 13.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -56.37 -31.67 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.683 -179.47 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -52.83 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -95.13 -2.4 50.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 54.79 33.81 20.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.706 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -101.02 127.59 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -87.23 143.94 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.74 154.01 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -129.38 141.39 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.731 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -124.47 125.31 44.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -99.3 127.51 45.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.561 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 2.4 p30 -102.8 -33.31 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.537 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 8.9 p -57.22 118.2 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.501 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 69.7 p -97.06 18.19 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.602 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.93 -16.1 4.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.669 179.798 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.5 149.99 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 3.8 pt-20 -93.46 145.28 24.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 178.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.05 124.55 37.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.076 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.522 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 52.9 m-70 -112.67 123.24 49.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.395 178.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.9 t -107.1 131.97 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.74 92.71 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -113.73 134.11 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -109.28 134.59 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.34 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.6 m-85 -117.54 163.29 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.777 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.4 t30 -84.81 153.1 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -47.51 -44.97 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.4 m-20 -78.13 71.24 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.55 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 34.8 m -153.86 116.08 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' ARG . 47.8 t0 -76.81 80.42 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 pt -123.26 158.33 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.557 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 11.8 ttpp -142.75 161.27 38.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -91.56 141.66 28.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' GLY . 96.2 mt -102.52 -98.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.399 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.73 -146.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -1.84 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.539 -179.46 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.7 m -45.96 114.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -77.14 118.41 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -113.68 127.85 56.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -151.67 148.63 28.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.51 147.28 26.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -98.82 171.7 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 84' ' ' ASN . 3.1 pp20? -68.78 -32.98 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.689 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.87 -25.2 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.689 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 102.24 51.82 1.04 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.1 mt-10 -141.19 153.0 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.655 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -104.94 142.25 35.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.6 t -126.73 134.36 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.32 105.39 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.11 141.78 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.38 143.93 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 179.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -104.67 132.14 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.5 128.92 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -89.16 158.7 46.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.535 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 26.0 Cg_exo -62.02 167.85 9.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.813 2.342 . . . . 0.0 112.031 -179.574 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 14.3 p 41.56 21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 95' ' ' PRO . 67.4 mm-40 -138.74 150.17 45.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -129.27 137.69 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.47 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -133.53 159.6 39.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.8 mmm -83.95 151.23 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.585 179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -110.36 -101.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.8 pp -130.62 160.98 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.137 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -132.36 -178.33 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.594 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.41 -161.29 20.57 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 36.6 ttm180 -95.76 142.4 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.83 135.44 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -147.15 118.67 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 56.37 102.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -153.73 155.35 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.776 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -106.12 131.62 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.0 m -113.14 136.54 52.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -142.89 122.59 13.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.31 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -130.28 172.95 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 110.957 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.2 t0 -160.82 172.81 16.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.288 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.93 87.9 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.716 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 mt -88.72 151.65 47.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.09 139.17 35.1 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.809 2.339 . . . . 0.0 112.116 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.6 mt -46.41 104.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.2 m -73.99 -175.71 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.564 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -59.56 -31.55 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -57.25 -37.76 72.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 54.7 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.594 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.807 0.337 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.9 -62.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.179 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 76.3 m-20 -60.9 -29.21 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.654 -179.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.441 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 169.05 165.17 25.99 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.419 ' N ' ' NE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -94.19 154.41 40.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.512 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.83 132.21 12.86 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.863 2.375 . . . . 0.0 112.215 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m -65.6 -30.61 71.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.54 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -109.27 136.41 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.78 125.19 40.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.624 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.14 -111.93 3.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 1.1 pp20? -143.82 -38.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.635 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -102.27 126.7 49.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -133.91 131.01 56.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.7 t -148.37 144.25 27.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 179.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -87.89 132.73 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -68.08 1.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -88.77 127.41 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 0.0 110.689 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.03 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -64.8 143.34 58.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 70.22 179.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 35' ' ' GLY . 16.0 p30 -51.65 -32.36 29.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 153.89 -18.34 0.65 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 17.7 mt 62.76 -66.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.583 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.2 tp -130.37 133.87 46.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.03 135.41 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.496 179.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -88.86 103.93 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.5 mt -94.72 120.64 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.59 130.57 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -111.09 101.61 10.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -53.99 -33.24 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.724 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -49.93 -68.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.672 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -92.1 -3.55 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.2 mmtp 55.46 32.42 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -100.67 127.53 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -86.46 147.62 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.39 149.46 33.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -124.05 142.49 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.441 ' OH ' ' O ' ' A' ' 17' ' ' GLY . 59.4 t80 -125.09 123.43 39.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -95.22 132.95 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 54' ' ' THR . 3.9 p30 -110.9 -29.02 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.397 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.559 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -62.55 119.2 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.54 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.682 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 68.2 p -95.33 14.36 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.682 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -128.69 -13.89 4.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.8 m-85 -135.97 147.35 48.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.714 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.3 pt-20 -92.73 146.11 23.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -94.15 119.82 33.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.299 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.521 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 52.3 m-70 -110.01 119.68 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.295 178.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -102.98 133.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.752 -178.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp -141.91 91.64 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -112.41 131.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.4 m -109.3 133.45 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.349 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -117.02 156.92 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -179.809 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.7 t30 -79.01 156.18 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.548 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.04 -44.2 30.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -77.02 70.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 35.5 m -153.89 114.05 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -79.28 77.86 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 pt -119.44 155.84 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.636 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -135.56 164.23 28.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.63 -179.547 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.479 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -95.76 139.03 32.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.502 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.6 mt -102.66 -102.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -58.12 -151.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.382 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -59.18 -4.21 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.524 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 75' ' ' GLY . 63.4 m -45.09 109.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.59 -179.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -77.85 119.95 22.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 tp -113.63 131.08 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.648 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -152.95 150.88 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.459 ' C ' ' NE2' ' A' ' 82' ' ' GLN . 63.2 tt0 -108.21 152.59 24.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.684 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.459 ' NE2' ' C ' ' A' ' 81' ' ' GLN . 17.9 mm-40 -107.83 169.29 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.09 -37.39 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.7 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.37 -24.91 61.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.871 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.7 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 98.59 53.66 1.2 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.431 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.1 mt-10 -138.94 146.33 40.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.599 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.38 140.01 36.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -126.42 133.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.92 103.15 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -114.66 146.03 41.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 p -162.07 152.27 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.521 179.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.3 t -111.66 136.45 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.638 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.2 t -117.28 131.69 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -91.27 157.73 42.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.35 154.93 68.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.797 2.331 . . . . 0.0 112.023 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 18.0 t 56.45 25.85 10.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.472 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -147.01 156.36 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.536 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.8 m -132.25 135.14 46.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -129.76 154.74 46.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.656 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.8 mtp -80.95 153.56 27.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -112.17 -101.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.469 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -128.13 161.35 36.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -137.07 157.42 46.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.621 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.84 -161.37 14.32 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -91.82 136.69 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 t -110.55 128.89 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.6 t30 -135.93 120.39 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.18 99.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -145.8 152.41 39.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.794 -179.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -108.73 133.36 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.339 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -111.29 134.76 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -178.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -139.92 113.89 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.288 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 79.3 mtm -119.97 168.58 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.024 -178.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -162.48 171.65 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.386 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.12 88.63 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.4 mt -86.27 165.15 35.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 4.7 Cg_exo -79.19 151.18 23.29 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.794 2.329 . . . . 0.0 112.137 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.42 119.49 20.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.1 m -88.98 -175.48 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.594 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 120' ' ' GLU . 1.8 pp20? -58.59 -29.41 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.85 -41.46 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 179.661 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . 156.34 -52.31 0.43 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m 65.66 -56.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.627 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' GLY . . . 88.38 8.44 71.13 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.39 154.32 36.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -84.15 145.23 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.0 p -144.66 161.16 39.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 42.89 75.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 10' ' ' SER . 21.0 p30 -55.01 -38.84 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.548 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.508 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 31.2 t -175.3 102.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 m 41.44 -131.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.6 t -140.09 136.17 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.583 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -127.02 131.7 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -101.45 172.87 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG13 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.35 -58.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.7 m-20 -64.57 -26.19 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.473 ' C ' ' HH ' ' A' ' 51' ' ' TYR . . . 165.13 160.44 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -90.09 149.38 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.549 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.05 137.37 37.37 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.77 2.313 . . . . 0.0 112.236 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 p -78.7 0.89 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -131.89 139.16 48.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.34 126.67 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.72 -109.93 3.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -141.01 -58.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -93.82 127.42 39.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -122.18 134.4 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.02 158.55 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -104.41 132.35 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.548 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.33 -65.6 2.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -79.45 132.45 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -88.72 49.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.587 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -149.64 143.62 25.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 68.95 -170.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -50.88 -31.57 17.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 148.98 -19.47 1.23 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 61.11 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.604 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.9 tp -119.25 128.99 54.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.622 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.19 124.26 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -80.38 117.41 21.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.632 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.01 128.89 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.0 t -132.96 129.13 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.532 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.7 t-20 -107.14 102.5 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.537 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.75 -31.42 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -56.0 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 63.0 mttp -87.6 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' ASN . 2.4 mmtp 55.81 31.74 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -102.45 128.29 49.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.479 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -83.63 153.35 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.08 143.89 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.437 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.37 138.51 54.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HH ' ' C ' ' A' ' 17' ' ' GLY . 27.6 t80 -122.29 124.21 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.482 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.59 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.5 t-20 -88.81 124.85 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.535 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 27.9 t70 -96.72 -47.54 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.496 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.449 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 11.3 p -56.96 135.9 56.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.505 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.629 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -104.53 12.57 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.629 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -127.59 -12.22 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -129.15 138.23 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.529 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 4.3 pt-20 -91.57 138.9 31.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.605 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.44 123.04 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -178.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.529 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 54.4 m-70 -109.67 122.96 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.293 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.1 129.92 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 tp -142.05 92.74 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.9 t -113.35 131.01 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -107.99 134.13 51.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.357 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -116.88 159.36 22.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.8 t30 -79.99 157.62 26.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -47.65 -51.08 22.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.519 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 58.2 t0 -75.3 75.26 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.5 m -154.47 113.71 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 50.3 t0 -78.57 80.03 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 pt -121.28 158.96 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 103' ' ' GLU . 29.7 ttpt -132.0 165.74 23.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.626 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.92 136.62 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt -112.08 174.36 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.37 -138.56 1.42 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 3.67 54.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.1 m -48.31 124.76 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -83.61 126.53 32.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.6 tp -122.54 127.87 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.551 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -149.71 153.97 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -107.7 150.12 27.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -100.64 170.18 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.655 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -63.06 -24.59 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.655 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.23 57.25 0.85 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.2 mt-10 -143.6 149.68 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.548 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -103.77 140.66 37.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.483 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.92 135.82 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.67 113.44 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -121.7 144.84 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 p -162.93 139.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -102.35 135.57 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.35 130.11 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.466 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -93.3 152.05 40.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.1 159.32 12.66 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.4 m 53.58 28.32 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 125' ' ' HIS . 65.9 tt0 -153.16 155.96 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.1 m -134.63 135.26 42.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -129.46 155.91 44.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.1 mtp -83.05 155.58 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.6 t80 -116.0 -103.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.04 163.19 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.9 tt0 -141.76 154.6 45.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.58 -159.29 14.42 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.6 ttt180 -94.39 138.21 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.57 130.66 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.4 t30 -135.2 120.94 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.79 97.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 21.6 p90 -145.68 157.84 43.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.788 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -116.98 135.55 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.312 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m -113.86 133.49 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.977 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -136.42 121.25 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.233 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.6 mtm -127.17 165.26 19.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.997 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 45.0 t0 -156.31 174.96 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.354 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.453 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.97 88.0 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.813 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.09 151.84 45.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' SER . 57.4 Cg_endo -72.92 135.64 23.67 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.144 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.3 mt -41.48 98.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' PRO . 29.6 m -66.92 177.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.06 -29.52 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.434 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.55 -35.19 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.469 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.95 -42.35 93.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -59.8 -41.42 91.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.494 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -67.84 -37.08 81.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.571 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.402 ' CE1' ' OE1' ' A' ' 97' ' ' GLU . 45.5 t60 -57.31 -33.94 68.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.98 -36.63 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 130' ' ' ASP . . . -66.5 -36.54 82.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.89 -34.47 78.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.555 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -61.33 -36.73 80.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 127' ' ' ALA . 58.0 p30 -163.04 160.2 24.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.584 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 51.4 tttp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.573 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.0 mpp? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.53 -128.72 30.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.3 m -151.43 153.86 35.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.6 48.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.21 72.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -104.83 147.06 28.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 82.8 p -72.17 -18.83 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.528 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 43.38 -111.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 7' ' ' SER . 77.4 m-20 56.87 44.14 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.585 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 t -86.49 128.16 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.9 t 172.93 13.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.04 135.78 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.518 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 m -128.65 138.12 52.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.63 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -117.09 163.17 16.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -147.63 -52.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.8 m-20 -81.84 4.62 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.656 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.66 155.94 9.15 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.629 ' N ' ' NE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -85.95 149.39 50.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.82 148.97 20.91 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.866 2.377 . . . . 0.0 112.189 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.3 m -79.04 -19.57 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -113.06 140.63 47.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.76 129.78 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.99 -118.51 3.11 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -136.98 -62.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.594 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -92.1 129.19 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.69 132.89 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -139.95 133.5 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.474 -179.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -93.65 132.82 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.31 -69.6 1.29 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -88.16 132.0 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.619 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.85 4.18 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -91.77 154.18 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 37.8 t0 61.69 -141.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.545 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 24.6 p-10 -92.33 13.22 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.87 -19.45 44.05 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.5 mt 59.89 -76.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.623 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.6 tp -112.93 131.51 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -108.49 125.3 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 27' ' ' THR . 35.3 ttm180 -81.76 112.07 18.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 40' ' ' ILE . 62.2 mt -99.64 130.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.442 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.7 t -132.23 127.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.8 t-20 -105.96 103.75 13.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.0 -30.67 64.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' HZ3' ' CE ' ' A' ' 45' ' ' LYS . 24.9 ttpp -58.25 -57.93 10.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.627 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 89.3 mttt -99.16 -4.07 33.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 54.01 28.19 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.763 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.97 127.78 44.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -85.88 147.33 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.92 147.05 32.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -123.73 138.83 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.826 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -125.44 127.07 45.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.525 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 39.0 t-20 -96.2 131.34 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.542 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 39.9 p-10 -102.18 -35.48 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.521 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.7 122.44 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.517 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 47.3 p -97.04 15.5 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.19 -15.58 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -135.75 145.82 47.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -93.32 145.86 24.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.517 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.553 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.59 122.35 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.641 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -108.53 117.53 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.437 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.38 134.46 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 tp -142.87 91.31 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.365 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.29 135.05 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -113.09 135.0 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.397 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -118.69 164.24 15.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 36.2 t30 -82.95 154.69 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.56 -44.74 36.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.578 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.5 m-20 -79.55 72.78 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.533 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 33.8 m -153.58 116.83 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 105' ' ' ARG . 43.5 t0 -77.65 80.11 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -122.15 155.52 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 34.7 tttp -136.01 162.03 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.429 ' N ' ' HG2' ' A' ' 72' ' ' LYS . . . -95.45 145.61 25.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' GLY . 63.6 mt -112.91 -103.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.9 -158.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -53.33 -6.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.507 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.552 ' H ' ' C ' ' A' ' 75' ' ' GLY . 90.5 m -44.9 111.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -80.65 121.29 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.3 tp -113.65 131.75 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -153.58 153.76 32.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.25 151.94 25.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -106.61 168.43 9.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.49 -37.18 86.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.675 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.72 -25.2 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.675 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 98.85 56.42 1.02 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.442 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.3 mt-10 -140.92 146.79 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.354 . . . . 0.0 110.613 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -101.14 137.74 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 81.9 t -126.12 135.41 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.0 103.54 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.1 p -113.8 144.83 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.61 147.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.22 134.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.714 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.51 133.02 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -90.0 154.3 47.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.75 148.06 84.96 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.794 2.33 . . . . 0.0 112.092 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 m 59.63 30.78 20.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.556 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 89.9 mt-10 -149.19 135.35 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.579 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -117.2 123.98 47.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -119.35 163.43 17.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -81.21 153.7 27.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -115.77 -94.24 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.451 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.2 pp -134.07 155.51 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.7 tt0 -132.04 155.15 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.66 -159.71 18.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASP . 58.5 ttm-85 -94.69 141.71 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.479 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.97 135.92 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 7.9 p30 -140.53 121.79 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.81 98.35 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -139.77 156.31 46.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.709 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -106.94 129.28 54.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.2 m -111.85 134.42 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -138.28 121.69 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 113' ' ' MET . 2.8 mpp? -133.17 171.29 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 111.04 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.4 t0 -160.35 172.55 17.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.31 87.42 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.76 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.37 150.18 48.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.72 149.43 60.73 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.817 2.345 . . . . 0.0 112.119 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.65 128.65 36.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.7 m -95.33 -170.61 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.57 -31.01 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.471 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.26 -39.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -66.83 -40.93 88.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -55.99 -42.21 76.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.438 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -69.72 -38.97 77.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.556 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 38.4 t60 -56.05 -28.57 58.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -94.87 -35.51 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 130' ' ' ASP . . . -65.53 -35.51 81.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.485 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -65.73 -30.21 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.585 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -56.78 -37.18 70.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 127' ' ' ALA . 85.0 m-20 55.26 45.5 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.526 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.0 mtm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.98 -176.29 51.46 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -148.51 162.14 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.27 111.79 3.14 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.5 149.48 47.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -79.03 -0.96 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.2 p -61.54 -15.74 41.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.87 -32.05 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -137.04 156.11 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.2 p -172.87 8.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t -59.64 -161.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 t -139.54 135.51 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.553 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -126.85 131.54 51.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -105.71 168.18 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -60.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 -179.182 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.6 m-20 -63.67 -28.47 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.682 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.22 161.4 18.01 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -92.77 149.14 37.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.476 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.65 139.03 27.52 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.838 2.359 . . . . 0.0 112.226 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -85.48 9.04 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -136.32 127.95 28.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.06 128.56 68.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.25 -114.79 3.49 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -136.52 -59.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -89.72 116.92 28.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.56 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -119.33 131.85 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -139.96 171.18 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.2 mttm -114.93 97.08 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -33.57 -77.45 0.04 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -66.59 137.35 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 2.6 pm0 -94.96 31.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -132.15 159.11 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 58.25 -149.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -84.14 20.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 95.46 -23.84 31.92 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 23.9 mt 60.09 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.2 tp -105.95 134.03 49.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -108.79 128.25 54.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -85.74 110.63 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -103.74 130.86 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.9 t -132.56 126.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.661 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.1 t-20 -102.85 104.3 14.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.07 -32.37 70.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.693 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -59.34 -52.39 65.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -100.81 -6.09 25.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.661 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 55.73 22.42 5.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.686 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -97.29 127.91 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.442 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.404 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 36.2 m0 -83.53 153.81 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.96 145.19 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -124.42 137.13 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -121.39 122.77 40.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 130.93 38.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.548 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 25.7 p-10 -106.8 -35.4 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.539 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.5 p -58.21 120.31 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.404 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 63.1 p -95.52 13.35 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -126.02 -15.83 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.661 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -136.16 145.41 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.23 145.14 24.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 121.93 34.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -108.16 121.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -101.8 131.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.825 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 tp -142.05 92.37 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.305 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.95 131.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -110.08 135.23 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.383 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -118.22 158.06 25.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.734 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.532 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 40.4 t30 -76.76 157.2 31.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -47.27 -45.97 24.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.582 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.3 t70 -80.82 77.2 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.5 m -154.78 112.45 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.4 t0 -76.27 80.71 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.464 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 65' ' ' PHE . 23.5 pt -123.84 159.35 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.59 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.8 mtpt -132.03 171.19 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.612 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.38 136.37 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.54 173.3 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.589 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.88 -137.88 1.35 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -87.14 -2.8 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.5 m -44.54 117.13 1.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -81.85 126.94 32.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.8 tp -121.45 127.25 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.608 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -147.84 154.03 39.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -106.86 151.84 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -103.18 165.92 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.99 -35.83 81.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.506 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.689 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -63.54 -25.12 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.689 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.67 61.8 0.76 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.459 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.6 mt-10 -144.55 146.39 32.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -102.4 136.37 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.508 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.6 t -126.0 139.7 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.512 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.08 108.07 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.5 p -118.67 143.9 46.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.644 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.88 144.82 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -103.25 135.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.651 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 t -114.93 128.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -90.12 156.56 46.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.453 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.93 155.71 58.7 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.77 2.314 . . . . 0.0 112.074 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 34.3 t 55.43 22.82 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.559 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 48.9 mt-10 -144.64 145.41 31.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.58 138.57 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -133.8 163.43 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.3 mmm -86.93 155.14 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.408 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 19.7 t80 -116.68 -102.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.408 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.87 161.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.8 tt0 -139.92 153.44 46.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.92 -159.44 15.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.9 ttt180 -95.94 139.39 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.88 132.38 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 3.4 p-10 -139.27 118.65 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.25 97.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 19.5 p90 -145.79 157.4 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.806 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -108.54 127.57 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.288 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -111.04 134.88 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -136.87 123.64 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.244 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.1 mtm -130.18 162.42 28.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 110.95 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.4 t0 -156.64 172.17 19.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.6 87.24 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.691 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.1 mt -85.74 150.51 53.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.65 146.4 48.91 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.827 2.352 . . . . 0.0 112.089 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -68.16 111.76 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 m -86.93 -168.11 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.9 -30.71 69.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 11.4 pt-20 -55.29 -41.54 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.43 ' N ' ' CG ' ' A' ' 121' ' ' GLU . 42.2 t80 -65.96 -42.29 90.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.464 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -58.11 -42.49 85.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -70.13 -38.09 75.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.53 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.559 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 29.2 t60 -55.36 -45.96 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.504 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -69.69 -34.74 74.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.508 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.55 -55.28 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.484 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 128' ' ' GLU . 1.7 pp20? -66.34 -18.16 65.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -41.26 -53.74 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 62.0 t0 42.19 41.46 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.8 tttm . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.544 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.34 -33.82 58.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.4 -70.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.76 0.314 . . . . 0.0 110.613 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' C ' ' N ' ' A' ' 6' ' ' SER . . . -55.86 -36.31 65.97 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 44.68 19.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.303 . . . . 0.0 110.526 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.459 ' N ' ' C ' ' A' ' 4' ' ' GLY . 23.3 m -57.5 -34.95 69.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.6 m -61.01 151.57 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -58.32 -33.86 69.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.563 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 57.45 45.58 19.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.5 t -86.95 145.02 26.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 t -132.4 18.88 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -143.42 142.34 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -133.5 155.24 49.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.718 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -125.78 164.26 21.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.424 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.93 -56.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.6 m-20 -71.0 -23.55 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.83 162.7 10.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.749 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -92.56 145.65 30.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.514 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.82 152.7 12.93 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.82 2.347 . . . . 0.0 112.189 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.0 m -83.44 -21.82 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 79.7 t80 -96.2 141.39 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.505 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -102.16 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.53 -144.23 3.98 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -131.58 -73.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -75.49 124.25 26.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.604 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.44 129.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -148.44 161.35 41.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -96.69 134.0 40.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.49 -60.7 4.55 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -78.65 145.22 34.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.618 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -95.13 26.15 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -121.81 154.46 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 31.0 t0 57.08 -155.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.586 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 25.7 m120 -65.03 -33.34 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 159.01 -22.44 0.31 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 19.2 mt 61.35 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.9 tp -106.6 131.86 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.619 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.97 130.97 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.533 ' NH1' ' OH ' ' A' ' 50' ' ' TYR . 36.3 ttm-85 -89.42 115.59 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.3 mt -106.01 128.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.49 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.74 131.17 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t-20 -107.84 102.55 11.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -56.77 -27.76 60.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -54.76 -58.43 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.629 ' NZ ' ' NE2' ' A' ' 47' ' ' GLN . 7.8 mtpm? -107.15 1.19 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.641 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 55.09 30.37 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.745 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.629 ' NE2' ' NZ ' ' A' ' 45' ' ' LYS . 2.3 pt20 -98.21 127.3 44.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.41 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 37.2 m0 -82.45 152.21 26.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.608 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.19 145.18 28.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 52.7 m-85 -120.31 142.43 49.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.721 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -130.19 123.81 31.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.474 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.596 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 5.5 t-20 -89.06 134.71 33.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 54' ' ' THR . 29.7 p-10 -106.51 -36.22 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.56 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -63.5 118.58 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.492 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.629 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 57.6 p -90.19 12.3 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.629 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -124.71 -19.28 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.653 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -134.84 142.36 46.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.598 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.9 pm0 -91.85 142.53 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.78 116.92 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.661 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.4 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 22.8 m-70 -95.11 128.16 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -101.74 129.88 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.13 91.44 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.366 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.22 134.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -111.86 136.05 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.366 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.99 165.92 14.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.512 HD21 ' CG ' ' A' ' 68' ' ' ASP . 20.9 t30 -82.19 157.04 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -49.96 -48.68 52.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.561 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 51.4 p30 -79.12 77.81 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.617 ' HG ' HD22 ' A' ' 107' ' ' ASN . 34.9 m -153.65 116.0 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.5 m-20 -75.92 80.64 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 pt -124.59 157.09 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 103' ' ' GLU . 14.0 ttmt -132.22 162.88 29.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -101.18 136.71 40.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -111.96 172.37 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.05 -137.8 1.92 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -90.78 -0.15 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.489 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -45.02 121.34 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -81.4 127.66 33.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.8 tp -125.09 130.8 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.559 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -152.62 157.22 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -108.52 151.24 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.525 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -104.7 167.13 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.549 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.93 -36.2 82.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.671 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.75 -25.23 67.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.57 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.671 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.21 59.19 0.89 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.453 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.3 mt-10 -142.96 147.97 36.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -102.3 137.34 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.6 t -126.85 134.36 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.12 113.88 11.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.502 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.4 p -124.28 143.86 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -161.67 139.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.25 139.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.678 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.0 t -118.63 132.74 67.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.413 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -93.53 152.91 41.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.499 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.68 151.09 78.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.667 2.245 . . . . 0.0 112.091 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.4 t 60.04 31.22 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -150.27 155.95 40.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -135.22 116.75 14.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.04 165.27 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.8 mmm -86.44 155.59 20.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.625 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -120.14 -103.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -122.02 159.21 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.8 tt0 -137.71 153.1 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.67 -158.95 16.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' ASP . 25.7 ttm105 -95.93 140.36 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.45 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.87 137.5 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.617 HD22 ' HG ' ' A' ' 69' ' ' CYS . 7.8 p30 -137.9 122.27 18.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.352 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.74 97.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -138.87 156.13 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.753 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -107.52 129.76 54.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.37 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.4 m -112.63 136.52 52.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -140.37 126.02 19.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.176 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -134.66 163.37 29.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.987 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 39.3 t0 -149.77 171.56 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.299 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 92.51 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.407 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 7.8 mt -91.98 150.79 41.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.482 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.7 Cg_endo -74.81 135.03 18.92 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.795 2.33 . . . . 0.0 112.128 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.441 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.8 mt -54.78 138.81 41.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.343 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -110.58 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.559 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.86 -32.23 60.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.544 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.531 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 42.8 t80 -63.84 -44.95 91.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.409 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -58.25 -40.03 80.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.457 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -68.03 -36.91 80.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.561 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.649 ' CE1' ' HZ2' ' A' ' 129' ' ' LYS . 46.6 t60 -58.42 -25.11 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.46 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.531 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 90.5 mt-30 -72.81 -20.03 61.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.59 -53.67 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.413 ' OE2' ' CE1' ' A' ' 125' ' ' HIS . 14.2 pt-20 -61.38 -30.1 70.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.504 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.649 ' HZ2' ' CE1' ' A' ' 125' ' ' HIS . 50.8 mttp -85.39 -3.59 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.6 t70 54.6 45.35 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 80.6 tttt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.561 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mmt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.26 7.47 69.79 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -152.56 155.45 37.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.77 0.319 . . . . 0.0 110.595 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.93 25.04 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 7' ' ' SER . . . -62.44 -31.14 71.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 44.69 18.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 5' ' ' ALA . 15.9 t 41.31 57.13 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.53 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 7' ' ' SER . 79.0 mm-40 54.68 109.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 10' ' ' SER . 85.4 m-20 -55.67 -34.16 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 9' ' ' ASN . 37.4 m 43.88 95.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.9 p -154.72 -140.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -141.82 133.92 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.573 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -122.28 140.7 52.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.631 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -120.53 173.64 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.476 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.02 -55.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.626 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.1 m-80 -76.49 -23.8 53.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.16 175.46 29.12 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -91.49 158.3 40.87 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.89 141.47 30.25 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.873 2.382 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 98' ' ' THR . 21.2 p -74.93 -14.52 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -121.34 151.14 40.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.499 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.579 ' CG2' ' H ' ' A' ' 23' ' ' GLY . 9.0 p -136.56 176.35 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' CG2' ' A' ' 22' ' ' VAL . . . -161.29 -113.67 0.32 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -143.92 -57.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.616 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -92.99 128.28 38.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.28 134.23 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -147.84 159.6 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.49 121.73 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.86 -70.14 1.05 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -73.01 -131.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.526 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -170.47 51.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -154.09 150.32 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 43.1 t0 61.02 -135.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.506 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 6.2 p30 -90.36 12.29 18.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.2 -16.82 56.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 60.89 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.644 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.3 tp -107.84 134.11 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -110.42 137.65 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.528 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -90.55 102.72 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.75 124.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -132.4 127.93 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -109.15 103.88 12.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -57.57 -31.4 66.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.668 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -55.43 -55.0 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.8 mmtt -102.99 -4.67 24.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.638 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 54.29 32.16 15.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.685 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.38 125.69 49.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.486 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.403 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 37.3 m0 -84.14 146.33 27.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.5 148.64 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.365 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.465 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 65.4 m-85 -122.55 146.39 47.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -131.78 122.47 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.446 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 64.9 t-20 -92.02 137.38 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.537 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 31.3 p-10 -112.26 -36.84 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.71 123.51 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.662 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 46.1 p -96.84 13.67 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.65 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.662 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -126.29 -13.48 6.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.7 m-85 -138.66 145.08 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.519 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.2 pt-20 -92.77 146.42 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.454 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.02 117.66 30.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.705 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.519 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 43.2 m-70 -105.71 123.6 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.318 179.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.76 133.54 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.768 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.11 92.39 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.69 131.69 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.794 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -111.73 131.07 55.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.391 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -115.41 160.13 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.782 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.2 t30 -75.52 155.51 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.61 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -49.06 -45.0 42.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 63.1 t0 -79.54 74.43 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 31.8 m -154.15 114.96 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.594 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.1 m-20 -76.75 80.33 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.74 154.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.1 mtpp -127.91 169.95 13.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.53 141.23 38.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 75' ' ' GLY . 14.1 mt -120.37 174.08 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' LEU . . . 38.77 -137.56 0.95 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.511 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.4 m -45.49 117.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -85.09 124.36 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.3 tp -119.03 131.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -151.51 154.04 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.561 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.93 150.7 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.74 169.56 8.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.04 -34.99 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.428 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER -66.77 -24.54 66.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.428 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.28 63.87 0.77 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.8 mt-10 -144.44 147.43 33.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -102.91 137.58 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.9 t -130.65 133.22 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.57 107.59 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.3 p -115.31 143.96 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.634 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.73 139.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.442 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.73 135.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.36 135.06 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.47 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -97.81 153.41 38.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.67 152.19 50.4 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.781 2.321 . . . . 0.0 112.135 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.2 t 51.48 42.13 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.497 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -156.32 156.87 34.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 20' ' ' THR . 0.3 OUTLIER -135.25 144.76 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -140.52 162.32 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.608 -179.226 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.5 mmm -88.07 142.44 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -104.05 -102.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.456 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.2 pp -124.13 154.78 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 72' ' ' LYS . 84.4 tt0 -131.96 156.42 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.573 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.18 -160.05 14.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.4 ttm-85 -93.55 139.92 30.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.468 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -121.77 135.67 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.797 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -148.45 116.13 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.325 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.82 99.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 23.7 p90 -151.12 154.24 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -105.42 132.42 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.309 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 m -117.26 132.94 56.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -136.77 119.41 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.196 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 75.0 mtm -124.44 163.42 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.019 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -157.7 170.99 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.22 88.56 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.72 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' GLU . 18.5 mt -85.75 164.41 39.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 6.1 Cg_exo -75.8 152.74 37.48 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.778 2.318 . . . . 0.0 112.074 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.64 111.26 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -80.26 -165.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -66.4 -30.49 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -54.95 -38.22 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.592 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 31.9 t80 -65.38 -43.72 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.428 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -56.07 -40.5 73.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.461 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -68.77 -38.38 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.549 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -56.9 -32.51 65.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.557 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.592 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 94.0 mt-30 -60.03 -19.89 55.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.582 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 130' ' ' ASP . . . -87.13 -62.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.532 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 129' ' ' LYS . 19.5 pt-20 -50.58 -38.13 43.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 -178.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -79.76 -8.25 59.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 127' ' ' ALA . 22.3 t70 -122.77 114.22 20.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 56.7 tttp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.921 -1.037 . . . . 0.0 110.591 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.498 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.7 145.57 47.14 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -57.75 -35.77 71.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.541 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.08 163.31 50.65 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 145.41 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -100.37 153.67 19.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.6 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.478 ' HG ' ' H ' ' A' ' 9' ' ' ASN . 42.0 p -80.48 -2.09 44.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 55.29 10.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.478 ' H ' ' HG ' ' A' ' 7' ' ' SER . 86.0 m-20 -122.53 125.21 45.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.623 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -141.05 145.56 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.623 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t -78.89 -151.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.565 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 t -142.96 136.19 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 m -128.11 138.21 52.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.667 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -117.52 170.99 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.395 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.94 -49.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 70.7 m-80 -88.12 4.24 46.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.705 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.76 173.03 13.42 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.6 153.13 50.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.77 149.77 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.822 2.348 . . . . 0.0 112.209 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.494 ' CB ' ' HG1' ' A' ' 98' ' ' THR . 17.1 p -84.73 2.31 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -132.59 145.28 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.486 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.71 141.62 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.15 -111.97 1.37 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -145.19 -62.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.623 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.92 119.74 31.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -110.95 135.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -137.15 170.91 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -132.94 115.32 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.05 -65.7 3.36 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.66 121.91 32.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -73.65 -23.04 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.551 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -56.94 158.29 5.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.7 t0 55.78 -143.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.577 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 81.5 m-20 -90.91 8.97 32.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.35 -20.75 10.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 51.5 mt 56.73 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.665 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 35' ' ' GLY . 15.3 tp -107.83 130.37 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -109.63 126.46 53.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.485 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' THR . 60.5 ttp180 -84.22 123.2 29.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.14 131.41 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.507 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -134.24 128.99 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 t-20 -109.24 103.55 12.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -54.81 -31.95 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.683 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 44.5 mtmt -97.94 -2.34 40.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 58.09 37.63 26.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -100.18 126.16 46.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -85.21 144.92 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.79 146.01 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -123.88 136.27 54.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -119.31 126.38 51.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.44 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 52.0 t-20 -95.32 133.85 38.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 54' ' ' THR . 22.5 p-10 -105.08 -40.73 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.532 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.4 p -58.62 116.42 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -86.76 -4.16 59.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.9 tt0 -95.3 -46.58 6.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.97 150.5 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -93.47 150.26 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.519 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.82 122.73 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -106.63 119.15 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.381 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.8 t -97.71 132.93 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -143.35 92.07 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.348 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.4 t -113.18 134.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.8 m -112.49 134.46 54.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.412 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.03 163.01 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.1 t30 -81.22 160.27 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.8 -52.38 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.45 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.512 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 56.3 t0 -74.34 76.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.9 m -154.27 113.2 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' ARG . 42.8 t0 -76.64 79.92 3.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.538 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.73 156.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -138.12 160.79 38.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.53 140.5 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.544 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.7 mt -103.02 -101.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.59 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.0 -154.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -59.99 -2.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.545 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 75' ' ' GLY . 60.7 m -46.41 116.64 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -80.08 123.28 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -118.27 132.48 56.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -155.31 154.64 32.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -108.78 151.38 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -105.07 168.28 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.92 -36.37 83.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.671 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -60.74 -25.18 66.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.671 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.25 57.6 0.95 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.3 mt-10 -142.19 146.09 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.578 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.45 138.78 38.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.1 t -126.78 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.25 106.47 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.6 p -117.31 143.07 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.16 145.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.8 t -101.83 134.22 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.35 134.55 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.486 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -92.95 156.14 40.77 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.528 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.512 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 33.4 Cg_exo -56.55 162.76 7.77 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.725 2.283 . . . . 0.0 112.083 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 15.1 p 40.82 25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.416 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' PRO . 57.2 mm-40 -142.4 130.77 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.494 ' HG1' ' CB ' ' A' ' 20' ' ' THR . 0.7 OUTLIER -114.1 122.1 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.529 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -112.92 160.27 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 82.7 mmm -82.05 149.87 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -111.54 -101.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.466 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -127.28 156.7 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.2 tt0 -133.9 153.75 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.67 -161.03 18.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ASP . 71.7 ttt180 -92.4 141.28 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.56 133.6 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -134.98 121.46 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.293 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.81 98.46 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -139.77 156.63 46.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.757 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -110.3 127.79 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.331 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -107.51 135.7 48.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -140.9 124.89 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -133.73 172.79 12.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.5 t70 -165.58 170.2 14.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.361 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.86 94.66 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.787 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mt -96.94 152.51 38.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.415 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 161.52 2.21 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.829 2.352 . . . . 0.0 112.107 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.74 123.91 32.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.428 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -83.02 178.91 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.93 -29.97 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.46 -38.17 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.548 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 31.1 t80 -63.25 -45.82 89.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.4 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -56.01 -41.56 75.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.459 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.91 -36.66 75.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.547 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 129' ' ' LYS . 31.8 t60 -58.99 -34.07 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.551 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.548 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 96.8 mt-30 -55.13 -36.99 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.519 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.4 -53.34 36.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -68.44 -23.4 64.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.525 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 125' ' ' HIS . 29.6 ttpt -48.59 -43.79 36.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -81.05 118.38 22.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.541 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttp . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.536 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' H ' ' H ' ' A' ' 2' ' ' GLY . 72.6 mtm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' A' ' 1' ' ' MET . . . -55.45 -37.11 65.31 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.6 -38.06 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.57 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.23 129.88 2.36 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.77 146.25 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.347 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -117.17 147.24 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.2 p -63.82 -24.8 67.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.35 -33.7 76.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.579 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -101.05 28.22 5.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.583 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -55.63 -48.3 75.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 m -164.04 -144.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.8 t -124.61 138.5 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.471 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -135.98 152.35 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -126.85 158.7 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 HG13 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.94 -57.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.599 -179.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 76.9 m-20 -65.53 -25.75 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.712 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.7 174.31 26.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -99.68 137.74 20.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.43 148.46 5.2 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.83 2.353 . . . . 0.0 112.198 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.434 ' OG1' ' OG1' ' A' ' 98' ' ' THR . 43.5 p -84.17 -0.66 52.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -127.51 138.44 52.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.76 129.94 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.633 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.37 -104.17 2.38 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.49 -59.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -96.8 125.97 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.29 140.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.678 ' HG1' ' HE ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -144.07 170.61 15.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 108.57 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.69 -71.36 0.4 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.41 125.41 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.637 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 51.7 mp0 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -64.12 160.32 18.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 57.65 -158.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -79.67 8.91 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 112.08 -28.48 9.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.6 mt 60.41 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.69 0.281 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 56.5 tp -101.3 126.0 48.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -107.8 125.29 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.678 ' HE ' ' HG1' ' A' ' 27' ' ' THR . 55.0 ttp180 -88.85 115.14 26.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG22 HD13 ' A' ' 40' ' ' ILE . 61.5 mt -104.89 130.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.29 129.34 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.5 t-20 -106.49 101.97 11.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.554 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -54.09 -29.79 45.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.726 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -51.65 -70.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.673 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -93.87 -2.15 53.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 57.98 30.95 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.88 128.94 44.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -83.98 142.4 30.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.04 144.51 38.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.418 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -123.46 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -125.12 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.503 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 53.4 t-20 -92.22 129.41 38.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.705 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 54' ' ' THR . 23.8 p-10 -103.25 -38.93 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.463 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.555 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.8 p -59.2 117.2 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.667 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 66.4 p -89.06 0.66 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.667 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -113.21 -16.21 12.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -135.63 149.1 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.668 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.502 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 4.5 pt-20 -93.97 142.99 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.46 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.662 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.66 121.76 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.502 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 47.3 m-70 -106.47 131.57 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.321 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.2 t -111.54 132.42 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.773 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 tp -143.28 95.27 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -115.86 130.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.743 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -108.26 133.13 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.37 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.02 160.4 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.5 t30 -79.15 153.63 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -47.3 -43.69 22.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-20 -79.28 72.1 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.623 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 37.5 m -153.85 112.08 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.606 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -77.44 80.5 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.424 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.57 158.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.603 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 15.5 ttmt -132.34 162.48 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -96.47 138.97 33.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.5 mt -116.59 167.92 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.31 -135.51 9.56 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -92.51 -2.12 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.3 m -47.5 123.0 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -85.12 127.87 34.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.5 tp -122.28 130.78 53.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.576 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.19 152.55 33.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -107.82 151.06 26.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.603 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -105.07 169.78 8.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -65.23 -34.46 78.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.679 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -64.35 -25.24 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.679 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.87 55.17 1.01 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HB2' HD22 ' A' ' 84' ' ' ASN . 80.2 mm-40 -136.12 141.58 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.46 133.86 42.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.35 129.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.642 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.11 107.8 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.508 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 p -119.61 144.46 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.91 139.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.473 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.1 t -97.76 133.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.0 t -112.8 130.33 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.25 152.77 39.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.469 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.84 151.44 71.11 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.752 2.301 . . . . 0.0 112.107 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.32 25.76 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.495 ' OE1' ' CE1' ' A' ' 125' ' ' HIS . 64.0 tt0 -149.09 156.38 42.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' OG1' ' A' ' 20' ' ' THR . 1.3 m -137.91 120.23 15.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 75.5 mm-40 -112.95 160.75 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.2 mtp -84.38 154.82 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -116.89 -103.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.476 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -128.41 157.16 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -134.37 -177.31 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.562 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 96.69 -155.42 20.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -96.75 139.99 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.447 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.88 132.4 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' GLY . 4.3 t30 -137.39 121.38 17.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.6 98.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -145.92 156.71 43.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 110.816 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -115.74 135.51 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.344 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -113.11 134.01 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -142.34 123.08 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 113' ' ' MET . 4.2 mpp? -128.61 172.51 11.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 110.955 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.9 t70 -161.34 170.99 19.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -122.47 89.03 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.679 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.2 mt -90.12 151.86 45.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.594 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.7 142.26 47.69 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.095 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.4 mt -50.05 105.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.428 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.1 m -67.43 167.05 13.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -51.48 -28.25 12.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.47 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.23 -33.7 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.491 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 55.6 t80 -56.53 -44.83 81.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -56.57 -41.2 76.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.452 ' O ' ' OE2' ' A' ' 128' ' ' GLU . 95.2 mt-30 -69.08 -38.77 79.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.555 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.495 ' CE1' ' OE1' ' A' ' 97' ' ' GLU . 60.4 t60 -57.06 -34.21 68.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.491 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 94.8 mt-30 -56.16 -30.37 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.6 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.472 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 128' ' ' GLU . 0.2 OUTLIER -66.96 -37.53 84.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -61.34 -32.06 71.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -91.36 143.67 26.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.577 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' OXT' ' CD ' ' A' ' 131' ' ' LYS . 6.5 tmtt? . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.39 -177.72 51.88 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.1 t -132.91 139.45 47.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.83 135.49 51.14 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -171.48 -153.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.528 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -60.37 155.02 18.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.8 p -111.99 150.97 29.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.598 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -167.16 -95.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.619 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.5 m120 57.16 46.1 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 t -49.86 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.602 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.523 ' HG ' ' H ' ' A' ' 12' ' ' VAL . 23.1 t 42.56 -143.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.523 ' H ' ' HG ' ' A' ' 11' ' ' SER . 10.6 t -137.74 138.62 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.494 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 2.7 m -134.25 110.74 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.619 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 27.3 m-85 -75.99 166.55 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG11 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.27 -59.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.136 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 80.8 m-20 -70.8 -26.6 63.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.51 178.13 35.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 28.8 mmm-85 -98.21 148.02 33.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.531 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' CE2' ' A' ' 14' ' ' TYR . 41.9 Cg_endo -70.25 143.07 47.4 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.805 2.337 . . . . 0.0 112.2 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 p -77.16 -9.6 58.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -117.3 140.04 50.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -137.65 127.65 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.56 -105.06 2.87 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -147.54 -57.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.596 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -95.04 127.4 41.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.68 135.84 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -146.86 140.17 25.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -89.2 136.56 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.94 -59.53 2.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -79.98 125.56 29.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.87 -30.6 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 18.1 tptm -66.18 150.59 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 m-20 57.79 -174.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 13' ' ' THR . 4.4 t30 -51.17 -35.68 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.23 -20.1 0.55 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.5 mt 61.06 -76.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.592 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.2 tp -103.64 126.69 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.31 120.82 42.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' THR . 59.0 ttp180 -76.67 122.52 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 40' ' ' ILE . 55.1 mt -107.66 129.67 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -133.58 130.63 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.59 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -112.69 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -52.77 -30.2 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -50.89 -57.0 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.653 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -109.2 -2.59 17.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.658 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER 55.76 34.8 24.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -96.92 122.7 40.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.0 m0 -83.66 143.05 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.63 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.451 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -130.34 139.25 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -121.73 119.12 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.414 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 58.2 t-20 -81.3 134.68 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 8.7 p-10 -112.9 -41.62 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.515 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.8 111.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 118' ' ' LEU . 70.9 p -81.26 -5.56 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.472 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.1 tt0 -95.85 -45.74 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 m-85 -114.87 153.16 30.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.5 pt-20 -92.66 150.68 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.504 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.4 119.99 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.733 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.413 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 48.5 m-70 -109.07 123.13 48.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.349 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.6 t -104.0 133.43 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.718 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.51 92.27 2.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.361 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.4 t -112.74 135.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.778 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.7 m -111.51 137.57 49.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.67 166.95 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 29.4 t30 -86.28 152.47 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.603 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -47.46 -43.95 24.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.7 m-20 -81.44 74.0 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.59 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 36.3 m -153.65 116.99 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -76.48 81.44 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 pt -125.01 159.96 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.635 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -143.05 164.64 29.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.64 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -94.66 140.54 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.7 mt -102.55 -101.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.89 -151.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -62.47 -0.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.553 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 75' ' ' GLY . 71.8 m -47.35 114.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -78.74 119.89 22.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.4 tp -114.29 129.97 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -153.28 154.88 35.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -107.15 150.14 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.404 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 31.9 mm-40 -101.23 179.07 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.13 -41.44 63.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.534 ' ND2' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -58.27 -25.68 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.35 54.96 0.82 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 9.7 mp0 -137.42 150.41 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.646 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -103.49 134.18 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 83.5 t -118.97 139.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.27 106.31 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 p -119.17 145.82 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.9 146.67 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.5 t -105.53 135.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.71 133.03 65.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -89.18 149.13 42.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HG3' ' O ' ' A' ' 54' ' ' THR . 75.3 Cg_exo -41.5 -73.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.693 2.262 . . . . 0.0 112.135 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.47 47.5 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 98' ' ' THR . 2.0 tm-20 -158.41 146.98 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.572 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.489 ' N ' ' CD ' ' A' ' 97' ' ' GLU . 4.6 m -131.04 133.58 45.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -127.92 156.8 42.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 91.1 mmm -83.49 145.81 28.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.68 -104.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.483 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -128.07 161.49 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.549 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -134.78 -178.68 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.86 -159.23 19.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -95.28 143.43 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.45 136.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.59 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p30 -137.76 122.42 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.348 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.75 95.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.5 156.06 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -105.96 126.36 52.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -111.56 134.77 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.55 121.75 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.236 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -128.46 164.8 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.992 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.8 t70 -156.24 169.32 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.306 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.18 97.48 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.739 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.74 151.93 37.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.66 155.79 9.87 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.808 2.339 . . . . 0.0 112.15 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 55' ' ' THR . 22.0 mt -83.98 114.64 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 m -68.43 168.24 13.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.545 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -56.36 -26.79 53.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.64 -35.79 73.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.571 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 35.0 t80 -62.74 -42.9 99.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -55.94 -41.38 74.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.429 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -68.83 -37.58 79.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.575 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -57.7 -32.98 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.456 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.571 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 95.7 mt-30 -58.86 -36.79 75.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.56 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.0 -33.68 76.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -58.96 -35.32 72.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.25 -37.65 81.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.573 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mmt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.81 35.34 45.71 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.5 m -56.42 -35.48 67.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.27 42.3 23.83 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 48.91 -138.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.737 0.303 . . . . 0.0 110.585 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 5' ' ' ALA . 75.7 m 49.08 179.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.7 m -61.38 147.47 44.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.92 -34.74 78.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.518 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.49 HD21 ' C ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -83.81 161.27 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.6 p -151.05 161.01 43.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.2 p -161.26 -141.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -141.05 136.78 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 m -133.05 138.02 46.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -121.95 167.54 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.94 -53.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.633 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 68.0 m-80 -80.77 2.33 26.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.41 169.14 12.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.79 136.52 21.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.516 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -46.66 147.41 4.5 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.834 2.356 . . . . 0.0 112.248 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -79.35 -5.38 54.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -127.39 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -131.94 129.03 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.79 -114.95 3.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -134.86 -60.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -89.82 128.17 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.98 132.97 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.11 171.72 14.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.515 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 114.24 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.39 -72.75 0.34 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.78 -152.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.595 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.88 17.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASP . 63.8 mttm -108.92 171.45 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.482 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' LYS . 75.5 m-20 41.29 -164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -57.08 -31.04 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.595 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.37 -23.43 0.58 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt 59.79 -76.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.636 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.0 tp -107.54 129.15 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -108.94 140.25 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.522 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.66 ' NH1' ' CZ ' ' A' ' 50' ' ' TYR . 4.7 tpm_? -92.18 104.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 mt -98.8 127.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.42 128.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.2 t-20 -107.44 103.03 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -52.95 -30.85 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.659 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -97.48 -3.06 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.633 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.3 mmtm 57.2 35.95 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.71 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -97.04 126.25 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -86.48 140.63 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.601 ' N ' ' NH2' ' A' ' 39' ' ' ARG . . . -140.6 149.73 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.66 ' CZ ' ' NH1' ' A' ' 39' ' ' ARG . 38.7 m-85 -122.93 140.05 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.759 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -128.59 120.06 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.599 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 25.0 t-20 -83.32 115.43 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.731 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 63.9 t0 -78.68 -39.07 37.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.444 ' HG1' HD22 ' A' ' 52' ' ' ASN . 49.8 p -59.3 165.1 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 p -125.38 5.84 7.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -140.62 3.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.88 129.47 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.684 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.527 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 8.2 pt-20 -92.85 131.81 37.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.599 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -92.41 119.94 32.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 -179.042 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.527 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 35.8 m-70 -101.96 109.93 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.2 t -87.99 133.31 30.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.775 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.31 91.74 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.297 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -113.34 137.05 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.793 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.6 m -114.8 134.04 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.302 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.2 m-85 -117.74 160.34 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.735 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.504 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 31.6 t30 -78.18 157.97 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.636 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -49.73 -51.35 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 55.5 t0 -75.93 76.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.598 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 33.8 m -154.02 114.48 3.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.9 t0 -75.93 81.27 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.434 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.65 157.89 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 10.9 ttpp -141.77 161.02 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.653 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -90.91 141.24 29.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.475 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.1 mt -103.48 -97.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.35 -150.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.49 1.18 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.447 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.6 m -48.42 116.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.558 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -75.86 121.48 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -116.63 129.63 56.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -152.98 151.9 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -108.64 151.43 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -106.21 168.01 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.61 -37.64 87.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.698 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.54 -25.04 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.51 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.698 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.08 54.14 1.13 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HB2' HD22 ' A' ' 84' ' ' ASN . 81.0 mm-40 -136.38 140.52 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.491 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -97.97 129.34 44.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.7 t -115.02 135.16 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.73 103.66 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.4 p -118.53 143.91 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.72 141.71 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.6 t -101.34 132.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.99 133.47 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.496 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -92.67 151.88 41.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.61 148.4 93.1 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.793 2.329 . . . . 0.0 112.057 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 t 65.32 22.78 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 125' ' ' HIS . 93.4 mt-10 -147.43 136.37 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.534 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 m -116.09 121.02 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -115.1 161.31 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.0 mmm -85.09 154.61 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.571 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -113.16 -102.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.484 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -129.35 159.38 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.518 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -132.48 -178.67 5.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.591 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.42 -159.53 19.86 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 ttm-85 -94.37 142.32 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.466 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.56 136.7 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.717 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.598 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 7.8 p30 -139.56 121.66 15.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.319 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.21 98.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -132.94 161.87 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -105.43 122.02 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.347 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 p -100.73 118.61 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -129.67 116.63 19.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.216 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.408 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -132.28 170.3 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.994 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -157.64 173.31 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.439 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.08 88.24 2.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.775 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mt -95.66 155.08 38.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.447 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.44 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 70.3 Cg_endo -77.1 141.2 20.64 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.758 2.305 . . . . 0.0 112.146 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.2 mt -42.03 104.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.421 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.0 m -66.55 170.84 5.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.579 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -53.23 -29.69 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.53 -35.03 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -58.9 -39.91 82.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.431 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -59.5 -40.73 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.478 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -68.62 -36.68 78.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.519 ' NE2' ' OE2' ' A' ' 97' ' ' GLU . 32.4 t60 -57.23 -25.28 58.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.525 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.11 -20.95 64.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.487 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -92.06 -58.81 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 129' ' ' LYS . 18.8 pt-20 -45.08 -41.55 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.502 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 16.3 ptmt -75.12 -41.86 57.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.578 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 129' ' ' LYS . 63.8 t0 -68.96 -46.31 68.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.8 tttp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.525 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mmm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.16 32.75 0.6 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.3 t -88.95 124.31 34.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.525 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.98 -175.64 50.92 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.14 151.45 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.564 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -83.28 4.76 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.4 p -61.81 -28.27 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.576 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -58.68 140.85 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -113.94 133.78 55.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -58.36 -43.37 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m 41.99 -146.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.0 135.28 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -123.19 130.83 53.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -102.57 173.28 6.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.515 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG11 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.75 -57.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.621 -179.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.1 m-80 -65.26 -27.38 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.657 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.07 170.43 31.93 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -95.97 150.85 37.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.07 137.17 19.12 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.8 2.333 . . . . 0.0 112.232 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -80.58 0.34 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -129.51 134.97 48.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.68 125.57 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.31 -108.6 3.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -146.77 -58.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -89.94 105.97 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -105.8 142.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.85 171.49 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.494 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -133.94 104.39 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -40.7 -69.6 0.47 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -82.69 117.45 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.61 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.35 -30.77 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -58.71 159.0 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 55.15 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -53.75 -33.1 54.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.85 -25.3 0.56 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 20.2 mt 60.72 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.684 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 35' ' ' GLY . 49.2 tp -110.09 125.35 52.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -110.49 126.56 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.458 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -90.58 115.47 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.672 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -106.83 133.41 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -134.31 128.17 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.639 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.9 t-20 -108.79 100.22 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -54.44 -31.8 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.662 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -55.86 -50.87 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.639 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -106.97 -3.11 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.608 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.639 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.02 26.14 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.694 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -99.13 129.97 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -87.21 151.17 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.3 147.56 29.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -125.4 141.0 52.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.718 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -124.1 115.92 21.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.464 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -87.19 131.61 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.537 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 2.6 p30 -107.68 -35.5 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.404 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.12 118.12 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.3 p -90.51 0.49 57.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 tt0 -104.45 -44.78 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.447 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.39 151.89 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 -179.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.22 147.63 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.46 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.65 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 122.71 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -109.89 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.7 132.99 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -142.53 93.41 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.33 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.18 133.45 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.782 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -111.89 135.18 52.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -118.66 164.9 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.499 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.0 t30 -82.76 155.7 24.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.46 -47.58 38.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.88 72.47 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.499 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 33.9 m -154.31 114.36 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.91 82.03 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.3 pt -131.25 159.19 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HZ1' ' CD ' ' A' ' 103' ' ' GLU . 25.1 pttm -142.35 -170.6 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.47 140.39 47.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.3 mt -99.93 -100.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.16 -144.38 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.36 -5.0 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.0 m -45.6 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -83.05 122.12 27.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 tp -114.99 130.13 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -152.19 152.64 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.92 151.35 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -100.96 173.4 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.31 -33.66 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.647 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -64.27 -25.55 68.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.561 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.647 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 103.17 56.69 0.78 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.439 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.5 mt-10 -141.67 152.39 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -105.49 138.95 40.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.47 136.7 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.09 107.53 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.6 p -116.95 144.91 44.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.1 p -161.85 150.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.469 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.26 134.45 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.35 126.09 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.453 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -85.2 159.55 56.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.25 154.57 73.65 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.779 2.319 . . . . 0.0 112.126 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m 58.83 15.76 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.468 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -136.12 152.62 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -130.33 136.23 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.535 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -132.75 158.73 41.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.0 mmm -83.62 152.05 25.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.2 t80 -111.29 -100.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.407 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -126.5 163.46 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.482 ' CD ' ' HZ1' ' A' ' 72' ' ' LYS . 83.4 tt0 -142.98 153.14 42.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.35 -156.88 20.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -95.46 138.07 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.18 136.09 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.783 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -149.6 117.48 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.335 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.1 97.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -146.88 161.85 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -114.89 128.51 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.263 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.3 m -111.76 133.27 54.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.453 ' CB ' ' HZ2' ' A' ' 112' ' ' LYS . 6.7 ttpm? -139.32 123.73 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.264 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -130.3 169.43 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.992 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.9 t0 -158.41 171.89 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.304 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -123.84 87.53 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.705 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.71 150.25 53.05 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.7 146.34 48.5 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.872 2.381 . . . . 0.0 112.065 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.51 139.37 56.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.459 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.617 ' HG ' ' H ' ' A' ' 120' ' ' GLU . 6.6 t -123.16 -161.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.597 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.617 ' H ' ' HG ' ' A' ' 119' ' ' SER . 23.1 pt-20 -59.2 -32.64 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.71 -39.86 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CZ ' ' NE2' ' A' ' 126' ' ' GLN . 24.6 t80 -68.27 -42.31 79.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -60.02 -41.49 92.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.444 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.53 -37.84 85.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.524 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.624 ' NE2' ' NZ ' ' A' ' 129' ' ' LYS . 29.5 t60 -56.61 -11.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.449 ' NE2' ' CZ ' ' A' ' 122' ' ' TYR . 81.2 mt-30 -90.1 -22.43 21.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 130' ' ' ASP . . . -72.61 -46.19 55.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.458 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.528 ' OE2' ' ND1' ' A' ' 125' ' ' HIS . 22.0 pt-20 -56.67 -30.01 62.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.558 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.624 ' NZ ' ' NE2' ' A' ' 125' ' ' HIS . 64.1 mttm -56.48 -25.35 50.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 127' ' ' ALA . 51.2 p30 -139.67 173.89 11.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.617 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.88 130.91 33.71 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.18 -36.21 82.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 -162.57 22.97 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.7 145.51 11.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 110.533 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 7' ' ' SER . 87.3 p -60.87 -27.73 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 6' ' ' SER . 35.0 m 53.21 168.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.531 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 50.6 mp0 -60.37 138.15 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.653 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -91.98 3.35 55.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 11' ' ' SER . 86.6 p -61.79 -66.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.595 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' OG ' ' A' ' 10' ' ' SER . 5.8 m 40.23 -161.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.55 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 t -133.24 139.97 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -132.55 152.03 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -129.76 170.55 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.398 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.62 -58.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 71.0 m-80 -63.92 -28.81 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.629 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.76 171.95 31.63 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -94.3 149.93 37.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.0 138.61 18.52 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.864 2.376 . . . . 0.0 112.2 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -77.7 -13.69 59.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -114.92 130.51 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.49 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.57 123.6 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.25 -105.39 2.96 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -148.33 -54.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.553 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -95.2 126.95 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.596 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -118.97 137.09 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -143.47 135.58 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 -179.25 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.57 110.76 20.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.499 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.3 -51.15 49.07 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -89.22 131.02 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.585 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.8 16.09 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -117.13 148.89 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' A' ' 35' ' ' GLY . 60.7 m-20 59.51 -159.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.519 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 36' ' ' LEU . 22.4 m120 -72.08 36.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 33' ' ' ASP . . . 72.33 -22.35 0.82 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 34' ' ' ASN . 26.3 mt 60.36 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.569 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.1 tp -104.11 134.59 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -112.23 123.7 50.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' THR . 41.3 ttt-85 -81.12 107.8 14.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.576 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.96 132.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.507 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.85 127.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -105.81 103.48 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.589 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -54.39 -33.48 59.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.65 ' HZ2' ' NZ ' ' A' ' 45' ' ' LYS . 21.5 ttpp -45.32 -65.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.65 ' NZ ' ' HZ2' ' A' ' 44' ' ' LYS . 42.4 mmtm -102.48 -1.84 29.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER 55.97 36.78 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.669 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -98.08 125.94 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -83.28 144.66 29.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.11 152.54 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -129.5 139.06 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.757 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -124.23 113.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.468 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 61.0 t-20 -79.82 135.09 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 22.0 p-10 -109.72 -43.09 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.528 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 16.9 p -57.4 128.96 39.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.9 p -98.89 11.33 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.81 -35.22 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.681 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 5.7 m-85 -116.41 144.84 43.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.705 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.5 pt-20 -92.44 145.45 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 178.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.83 119.28 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.06 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.414 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 50.5 m-70 -107.58 121.14 44.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.335 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.1 t -101.99 133.76 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.1 tp -142.81 91.54 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 130.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.6 m -109.02 136.18 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.16 160.85 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.763 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.9 t30 -82.38 155.39 24.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -48.09 -43.05 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.5 m-20 -78.35 69.86 4.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.513 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.2 m -153.7 115.67 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -78.77 80.08 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.9 pt -127.55 160.86 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.29 -169.76 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.25 141.61 45.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.9 mt -102.69 -99.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.65 -141.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -71.97 -6.57 42.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -44.63 116.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -80.09 122.67 27.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 tp -114.03 129.51 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -151.46 153.3 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -108.48 151.64 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -103.67 168.53 9.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.481 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.53 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.657 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.21 -25.59 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.657 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.83 55.16 0.89 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.0 mt-10 -141.62 149.65 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.579 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -102.32 138.38 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.2 t -124.22 136.35 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.45 105.71 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.2 p -117.69 146.04 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.621 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.86 146.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.52 135.78 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.656 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 t -116.38 129.0 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.457 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -91.32 155.31 44.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -61.61 155.72 51.73 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.28 . . . . 0.0 112.043 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.9 t 59.95 9.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.06 148.56 52.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -128.9 138.19 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -134.93 156.52 48.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.7 mtp -83.62 154.31 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.653 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -109.38 -100.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.484 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -133.81 161.41 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -137.08 -178.02 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.614 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 -157.46 18.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -95.59 135.59 37.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 0.0 110.425 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.17 129.8 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.468 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 5.6 t30 -134.79 121.1 20.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.321 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.66 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -140.1 163.93 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -127.6 127.36 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.391 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -103.96 135.28 45.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -139.92 122.1 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.217 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -128.23 168.31 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 111.018 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -155.5 173.1 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.39 88.83 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.784 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 mt -90.25 150.3 42.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.97 142.63 31.62 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.834 2.356 . . . . 0.0 112.136 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.91 109.92 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.9 m -80.74 -175.35 5.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.46 -26.59 65.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.413 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.53 -39.32 79.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.468 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -65.44 -40.74 93.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.389 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -57.74 -39.68 77.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -70.2 -36.89 74.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -57.87 -24.99 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.502 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -66.85 -22.49 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 130' ' ' ASP . . . -91.52 -60.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.465 -178.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 129' ' ' LYS . 17.7 pt-20 -44.26 -42.5 6.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.502 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 128' ' ' GLU . 25.2 pttt -71.83 -23.09 61.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 127' ' ' ALA . 61.9 t0 -83.12 119.64 24.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.3 tptt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.584 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.502 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.486 ' O ' ' SG ' ' A' ' 3' ' ' CYS . . . -63.63 141.97 46.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 2' ' ' GLY . 75.8 m -153.95 1.22 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.621 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.3 31.87 45.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.568 ' C ' ' H ' ' A' ' 7' ' ' SER . . . -65.85 138.15 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.582 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t 61.34 -3.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.537 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.568 ' H ' ' C ' ' A' ' 5' ' ' ALA . 10.0 p -106.04 -6.84 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.619 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -73.61 144.18 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -88.83 -67.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -117.4 146.58 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.606 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -158.14 -169.38 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 t -135.69 135.03 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.504 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -126.65 138.18 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.644 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -116.13 170.01 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -129.02 -55.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.621 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 69.4 m-80 -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.632 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.21 175.39 25.38 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -86.14 154.59 57.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.59 143.59 63.1 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.859 2.373 . . . . 0.0 112.204 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 m -72.96 -25.37 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -106.58 134.7 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.33 132.73 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.08 -109.57 2.25 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -148.43 -60.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.562 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -92.83 128.01 38.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.08 134.12 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -141.83 134.85 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -77.81 135.07 37.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.61 -59.28 2.39 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -84.7 126.22 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.602 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.2 -20.25 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -73.0 154.94 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 52.61 -170.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -52.86 -36.5 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 162.2 -21.9 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 30.4 mt 60.57 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.566 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.0 tp -104.94 130.44 53.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.46 122.78 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.495 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' THR . 66.1 ttp85 -78.43 107.97 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -97.11 131.93 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.6 129.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.6 t-20 -106.07 101.63 11.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -52.42 -33.55 44.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -49.41 -70.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 92.9 mttt -92.89 -4.86 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 56.62 38.04 29.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.71 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -100.34 124.17 45.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.478 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.9 m0 -81.27 146.77 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.13 29.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -124.44 136.64 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -122.69 123.2 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.453 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -91.73 125.57 36.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.743 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 29.5 p-10 -99.4 -35.88 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.527 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -58.23 122.83 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.648 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 51.3 p -96.12 12.86 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.648 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -124.32 -14.48 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.603 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 2.7 m-85 -139.89 142.96 36.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 11.7 pm0 -92.01 147.38 23.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.614 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.07 120.3 35.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.746 -179.551 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.418 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 24.1 m-70 -101.98 123.09 45.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.339 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.2 t -102.81 126.42 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.795 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.6 tp -141.48 91.3 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.307 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -113.05 132.06 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.463 ' CG2' ' HZ2' ' A' ' 110' ' ' LYS . 61.1 m -109.91 133.26 53.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.377 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -117.46 160.17 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.4 t30 -81.76 156.53 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -47.56 -42.73 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -78.6 69.64 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.85 112.39 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.623 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -80.0 77.9 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.3 pt -117.36 155.9 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 103' ' ' GLU . 30.5 ttpt -126.17 166.94 16.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.648 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.16 136.67 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -114.35 173.09 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.6 -137.46 1.78 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.08 -3.12 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.524 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.2 m -46.0 120.91 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.74 128.05 34.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -120.85 130.09 53.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -152.07 153.24 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.515 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' C ' ' NE2' ' A' ' 82' ' ' GLN . 60.4 tt0 -106.92 152.28 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.42 ' NE2' ' C ' ' A' ' 81' ' ' GLN . 17.5 mm-40 -106.12 168.33 9.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -64.07 -36.99 85.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.691 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.01 -24.84 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.691 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.39 53.59 1.14 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.1 mt-10 -139.32 151.5 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -103.27 143.39 32.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.5 t -129.87 131.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.94 107.73 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -120.33 143.57 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.55 138.79 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 66.1 t -97.8 136.11 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.2 t -117.59 130.2 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -90.2 157.15 45.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.47 153.92 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.704 2.269 . . . . 0.0 112.124 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m 58.98 16.42 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -137.84 143.7 41.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.551 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 m -127.42 125.71 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -120.25 164.07 16.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.2 mmm -85.38 154.62 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.641 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -114.91 -103.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.473 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -124.14 157.47 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 72' ' ' LYS . 83.5 tt0 -135.7 156.08 49.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.33 -160.38 14.32 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -91.29 139.83 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.381 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.35 132.15 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.751 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' GLY . 3.4 t30 -138.76 121.04 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.89 98.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -146.2 157.14 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.746 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.463 ' HZ2' ' CG2' ' A' ' 64' ' ' THR . 0.8 OUTLIER -113.83 133.59 55.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.342 178.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 m -112.02 133.78 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -138.09 121.46 17.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.237 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.7 mtm -130.84 160.98 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.969 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -155.28 170.27 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.29 92.73 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.764 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.6 mt -88.81 165.86 25.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.468 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 4.0 Cg_exo -82.48 132.52 6.87 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.915 2.41 . . . . 0.0 112.17 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 mt -54.54 111.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.437 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -83.8 -174.49 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -57.05 -30.42 64.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.44 -38.15 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.492 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 34.1 t80 -62.85 -45.65 91.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.393 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -58.93 -41.75 88.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.506 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.41 -37.78 87.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.602 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -59.09 -41.56 88.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.492 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 96.6 mt-30 -48.74 -21.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.513 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.45 70.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -72.9 -28.3 62.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.542 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -59.07 -39.55 82.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.537 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -164.17 164.43 22.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 39.7 tptt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.545 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.497 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.22 -33.15 57.71 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.4 m 45.8 51.25 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.539 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.83 -31.4 54.46 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.21 157.33 44.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -68.68 142.92 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.3 p -75.99 162.84 27.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -92.52 155.3 17.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.602 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 56.46 44.61 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 t -161.12 -27.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.666 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 t -68.93 -159.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.552 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.34 140.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.422 ' CG2' HD22 ' A' ' 34' ' ' ASN . 14.5 t -133.71 155.65 49.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.651 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 87.0 m-85 -128.08 166.54 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.44 HG13 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.09 -57.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.6 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.55 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 83.2 m-20 -69.34 -26.13 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.62 -178.66 32.96 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.6 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 25.5 mmm-85 -105.06 139.78 20.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.514 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -47.07 145.45 7.41 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.827 2.351 . . . . 0.0 112.206 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.2 m -75.79 -32.29 59.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -91.58 138.61 31.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 158.79 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.53 -129.01 1.12 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -144.88 -66.58 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -88.09 127.63 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -122.79 131.55 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.81 143.5 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -83.77 135.16 34.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.68 -58.52 3.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -86.76 134.54 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.62 -4.83 57.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -102.65 160.42 14.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 57.01 -162.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.482 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.548 ' C ' ' H ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.68 43.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.561 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.25 -28.24 0.82 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.548 ' H ' ' C ' ' A' ' 34' ' ' ASN . 29.0 mt 61.65 -77.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.8 tp -103.88 131.22 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -109.4 128.88 55.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -82.71 111.56 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.61 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -97.14 128.04 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.506 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.61 129.44 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.598 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.82 101.66 10.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -55.19 -31.46 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.74 -65.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -91.88 -5.82 52.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.28 39.39 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -108.91 126.91 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -84.32 148.21 26.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.39 150.16 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -128.02 140.32 52.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.724 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -126.46 123.83 38.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.449 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -87.06 114.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.55 ' OD2' ' ND2' ' A' ' 16' ' ' ASN . 21.9 t70 -86.72 -36.2 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.8 p -62.14 133.36 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.559 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 p -103.42 8.03 38.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.564 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -111.34 -42.26 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.2 149.67 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.4 pt-20 -92.05 148.46 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.459 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.22 121.32 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.716 -179.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.505 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 41.4 m-70 -110.71 118.15 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.363 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.58 133.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.78 91.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.347 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.45 132.37 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -109.93 132.3 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.418 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -115.76 159.77 20.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.693 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.52 HD21 ' CG ' ' A' ' 68' ' ' ASP . 22.0 t30 -79.06 157.03 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -49.49 -50.9 39.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.556 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 53.9 p30 -73.22 72.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.566 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 31.5 m -153.84 114.86 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.618 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.1 t0 -75.18 82.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.466 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.3 pt -127.47 161.02 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 9.6 ttpp -148.25 160.21 43.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.417 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -86.35 153.61 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.64 -104.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 77' ' ' THR . . . -109.48 135.14 12.67 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -178.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 66.31 -55.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 110.488 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' GLY . 92.0 m -46.93 121.76 3.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -93.83 127.58 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.4 tp -110.19 132.35 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -150.77 146.3 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.49 152.63 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -107.54 169.54 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.686 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.53 -25.15 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.631 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.686 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.42 53.97 1.11 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' HB2' HD22 ' A' ' 84' ' ' ASN . 99.0 mt-10 -137.6 144.24 41.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.588 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -99.57 137.8 37.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.2 t -123.83 132.76 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.591 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.95 107.87 5.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.474 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -118.31 145.42 45.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -161.17 138.54 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.62 132.0 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.8 t -113.52 133.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.478 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -95.5 153.01 39.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.47 154.46 24.47 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.784 2.323 . . . . 0.0 112.064 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m 54.65 21.31 3.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -138.74 155.26 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -138.96 120.23 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -113.21 165.78 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.7 mmm -86.59 148.53 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -110.38 -103.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.476 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -129.72 162.56 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.551 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -134.94 -178.72 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.17 -160.65 20.71 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 70' ' ' ASP . 73.2 ttt-85 -95.15 142.39 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.431 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.27 135.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -148.41 117.58 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 25.3 p90 -152.93 155.36 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -105.43 133.2 50.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.292 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.2 m -114.06 135.61 53.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -136.97 116.85 13.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.224 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -125.42 162.56 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.017 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 38.1 t0 -158.27 171.57 19.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.299 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.05 88.8 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.55 161.89 46.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.451 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 12.6 Cg_exo -70.94 152.92 63.64 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.811 2.341 . . . . 0.0 112.162 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 mt -79.69 109.85 14.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.516 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.1 m -74.67 176.36 7.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -55.02 -30.65 59.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -54.68 -38.11 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.46 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 28.5 t80 -62.2 -43.11 99.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.56 -40.51 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.451 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -69.56 -36.2 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.525 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 43.6 t60 -59.09 -13.52 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.467 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.46 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 91.8 mt-30 -83.02 -17.75 42.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.39 -47.56 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.497 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' A' ' 128' ' ' GLU . 1.4 pp20? -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.562 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -65.4 -29.25 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -142.74 -79.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 53.9 tttp . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.595 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ptt? . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.15 -45.98 0.46 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -58.22 -34.82 70.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.836 0.35 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.65 90.43 0.11 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.79 -28.95 70.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.823 0.344 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 7' ' ' SER . 28.3 t 50.59 -174.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.489 ' N ' ' OG ' ' A' ' 6' ' ' SER . 11.0 p 44.35 73.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.32 -32.01 72.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.533 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 55.99 44.7 25.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 p -70.44 159.89 33.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.8 m -148.02 163.75 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.59 138.52 52.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.5 t -137.34 144.47 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.695 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -132.22 158.36 41.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.492 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.93 -58.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.614 -179.142 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.4 m-20 -64.3 -26.84 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.634 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' C ' ' HH ' ' A' ' 51' ' ' TYR . . . 166.62 158.47 11.22 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.594 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -89.94 154.2 47.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.505 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -76.69 132.58 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.836 2.357 . . . . 0.0 112.222 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -67.59 -30.75 70.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.515 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -105.66 130.93 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.45 126.72 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -106.77 -111.85 3.62 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -142.85 -59.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.305 . . . . 0.0 110.641 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -84.92 110.11 18.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -110.76 145.81 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.619 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.37 171.61 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -127.52 101.65 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.05 -68.66 0.6 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -74.75 129.48 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.581 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -86.07 7.21 25.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -104.68 157.78 16.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 57.0 -171.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 34' ' ' ASN . 2.4 m120 -50.79 -32.94 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.63 -23.92 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 22.4 mt 61.38 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.592 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' GLY . 58.7 tp -108.16 126.73 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -112.37 126.04 54.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -87.63 126.34 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mt -114.84 128.21 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.46 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.2 t -131.13 127.99 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -106.97 102.8 12.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.8 -29.9 55.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -69.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -90.62 -4.22 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 55.35 34.68 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -103.14 126.59 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -83.98 145.58 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.6 152.73 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.97 143.22 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.784 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.453 ' HH ' ' C ' ' A' ' 17' ' ' GLY . 64.5 t80 -125.76 128.71 48.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.592 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 20.3 t-20 -95.44 139.01 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.624 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 54' ' ' THR . 28.1 p-10 -113.44 -40.58 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.576 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.28 117.47 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.471 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 43.3 p -90.73 7.87 37.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -120.61 -19.86 7.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.64 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -134.26 141.52 47.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.649 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.597 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.5 pm0 -91.63 145.73 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.46 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.592 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -95.98 116.92 29.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.417 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 22.0 m-70 -95.03 126.55 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.375 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.61 129.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.778 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.7 tp -142.55 91.76 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.331 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.18 134.5 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.0 m -110.86 138.27 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.394 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.97 166.33 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.702 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.54 HD21 ' CG ' ' A' ' 68' ' ' ASP . 24.2 t30 -84.34 156.71 21.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -49.23 -51.71 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.57 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 48.0 p30 -74.81 74.98 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.584 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 35.4 m -153.55 114.45 4.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.88 80.7 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -123.45 153.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -130.03 175.25 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.666 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.23 135.67 49.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.497 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' GLY . 75.5 mt -101.36 -98.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.17 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -63.3 2.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.536 ' H ' ' C ' ' A' ' 75' ' ' GLY . 97.8 m -49.93 116.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -77.78 120.43 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.4 tp -115.21 130.58 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -155.43 156.85 36.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.33 151.27 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -104.05 168.36 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.12 -35.25 80.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.682 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -60.9 -25.46 66.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.682 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 100.99 56.62 0.88 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HB2' HD22 ' A' ' 84' ' ' ASN . 96.6 mt-10 -143.97 150.03 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.66 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -103.87 136.5 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.4 139.67 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.5 103.22 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.0 p -114.69 144.07 44.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.75 143.25 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.481 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.5 135.53 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -112.96 130.32 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -94.63 151.01 38.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.31 149.71 89.74 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.792 2.328 . . . . 0.0 112.184 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 t 63.6 20.06 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.544 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 95.5 mt-10 -146.56 134.08 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.528 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 m -111.93 135.15 52.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -128.5 157.49 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.3 mtp -82.66 154.41 24.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.5 -101.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.477 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -131.53 160.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -133.81 -177.62 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.81 -157.98 20.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.95 146.91 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 110.439 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -132.96 137.64 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.584 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.4 p30 -139.71 122.38 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.5 97.96 0.01 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -138.54 157.76 45.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -108.17 130.42 55.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.357 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 m -114.44 132.54 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -137.43 126.24 24.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.211 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.415 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -135.33 166.4 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 7.2 t70 -156.33 169.9 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -120.98 93.33 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.748 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.414 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 7.6 mt -91.96 151.49 42.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.472 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 132.95 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.861 2.374 . . . . 0.0 112.158 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.48 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.6 mt -51.65 114.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.402 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.7 m -83.65 -171.54 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.55 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.96 -31.74 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -54.98 -41.02 70.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.51 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.36 -40.9 98.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -58.73 -43.15 90.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.95 -39.17 76.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.544 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 20.5 t60 -53.02 -49.11 66.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.497 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.583 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.62 -37.49 86.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.491 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.77 -34.88 78.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.94 -31.63 68.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 131' ' ' LYS . 47.4 t0 58.75 155.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 15.7 ptpt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.563 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.556 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.91 139.04 42.39 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -139.64 142.44 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.72 22.42 59.92 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 6' ' ' SER . . . -147.45 155.56 42.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.59 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 7' ' ' SER . 11.6 t 54.77 163.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 6' ' ' SER . 44.1 t 51.6 172.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -117.69 139.47 50.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' SER . 18.7 m120 57.06 41.83 26.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' ASN . 37.2 m 42.01 94.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.5 m -163.29 -145.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.522 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 t -140.3 135.88 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -126.12 134.15 51.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD ' ' A' ' 19' ' ' PRO . 52.1 m-85 -112.9 174.28 5.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.401 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG13 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.53 -57.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.615 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.3 m-20 -67.24 -27.29 67.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.95 171.41 30.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -92.76 148.87 36.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.562 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CE2' ' A' ' 14' ' ' TYR . 52.1 Cg_endo -71.23 137.69 31.74 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.821 2.347 . . . . 0.0 112.243 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -75.07 -10.81 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -120.61 137.71 54.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.92 126.11 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 -105.17 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -146.42 -57.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -94.95 128.14 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -122.16 135.39 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.14 131.72 30.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -85.76 118.65 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -79.65 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -83.24 122.02 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.603 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.18 -28.83 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -63.87 156.45 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.466 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.97 -159.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -82.03 20.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 99.39 -21.55 44.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 27.5 mt 60.24 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 110.598 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 35' ' ' GLY . 13.1 tp -112.22 133.68 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.626 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -104.72 127.69 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -85.56 97.87 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -87.8 131.19 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.506 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.4 t -135.91 126.11 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 12.5 t-20 -104.81 100.74 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HZ3' ' CB ' ' A' ' 43' ' ' LYS . 9.6 mtmp? -54.14 -29.54 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.79 -70.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.4 mttp -90.8 -4.19 56.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 56.28 32.89 21.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.09 124.16 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.411 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 40.2 m0 -84.74 145.43 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.77 151.02 39.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.421 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -127.56 138.5 52.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.732 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -121.59 120.3 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -87.81 132.59 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.552 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 25.5 p-10 -109.31 -38.18 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.4 p -57.55 123.57 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.519 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 72.7 p -96.95 9.69 41.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.676 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.519 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -123.11 -15.31 7.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.83 146.43 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.8 pt-20 -93.14 146.46 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.36 118.33 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 -179.462 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.467 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 50.5 m-70 -106.26 121.03 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.329 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.6 t -104.85 133.11 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.791 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 tp -142.57 92.07 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.33 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 134.56 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.2 m -112.51 135.47 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -118.87 163.82 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.683 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.9 t30 -80.9 155.75 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.587 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -49.34 -46.21 46.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.2 m-20 -77.69 72.25 4.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.3 114.66 4.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -75.59 81.8 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.14 161.83 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 -173.22 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.11 137.27 51.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 75' ' ' GLY . 71.2 mt -99.99 -97.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.52 -148.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -69.46 0.75 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 110.485 -179.672 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.2 m -49.16 119.18 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -80.99 121.85 26.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.4 tp -116.25 129.48 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -152.06 152.91 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -108.25 150.97 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -106.02 167.0 10.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.82 -36.67 81.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.687 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.43 -25.31 67.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.687 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 98.85 54.39 1.13 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HB2' HD22 ' A' ' 84' ' ' ASN . 80.7 mm-40 -135.63 141.58 45.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 110.673 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -98.32 131.96 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.6 t -119.77 133.89 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.44 104.29 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -116.47 144.57 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.4 142.01 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.54 133.56 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.94 129.92 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.39 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -90.8 157.58 43.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.497 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.82 154.14 75.15 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.718 2.279 . . . . 0.0 112.066 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.2 m 60.0 17.33 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.538 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 95.2 mt-10 -143.23 145.92 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.494 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -124.77 138.85 54.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -132.57 158.32 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.683 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.7 mtp -83.26 154.56 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.56 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.93 -101.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.439 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.2 pp -128.14 159.7 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.4 tt0 -138.38 153.23 48.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 127.3 -160.09 21.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -92.76 137.12 32.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.44 136.48 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.736 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 8.5 p30 -140.01 121.75 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.263 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.56 97.88 0.01 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -137.18 155.63 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.695 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -106.4 125.14 50.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.362 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -109.21 136.93 47.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -136.61 118.17 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 79.0 mtm -125.03 171.09 10.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.6 t0 -166.59 172.62 10.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.35 87.44 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.715 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.46 150.66 51.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.09 149.51 58.55 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.794 2.329 . . . . 0.0 112.161 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.98 119.7 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.386 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.7 m -86.67 -177.38 6.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.48 -26.02 64.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.75 -41.72 87.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.486 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.487 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 35.5 t80 -66.65 -40.99 88.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.441 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -55.92 -39.95 72.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.508 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -71.15 -35.51 71.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.62 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.538 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 14.5 t60 -59.99 -27.15 66.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.497 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.487 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 97.0 mt-30 -62.93 -34.42 77.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.7 -61.96 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.579 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -62.43 -14.03 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -46.79 -43.92 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.6 p30 -100.29 170.31 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.638 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.602 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mtp . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.87 31.96 46.92 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.97 -39.12 74.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.558 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.98 79.18 0.08 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.06 67.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.39 . . . . 0.0 110.618 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -81.71 11.86 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.549 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -54.5 -34.44 61.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -57.12 129.56 42.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -71.54 -36.89 71.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.7 m -64.94 148.04 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.611 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.1 t 177.83 13.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.03 138.54 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.482 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -137.43 134.8 36.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.677 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -117.99 160.98 20.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.446 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.83 -57.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.7 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 83.0 m-20 -71.12 -24.57 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.645 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.51 170.73 24.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -100.35 133.25 21.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -46.73 147.47 4.56 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.773 2.316 . . . . 0.0 112.235 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -78.69 -7.47 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -122.62 136.15 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.83 127.62 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.505 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.28 3.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -146.34 -58.3 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.377 . . . . 0.0 110.644 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -94.46 129.47 41.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -118.49 137.66 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -144.26 133.39 22.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.681 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -89.21 138.42 31.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.42 -71.95 1.14 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -74.92 136.16 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.612 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -93.49 55.51 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -144.99 144.89 31.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.2 t0 62.99 -138.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.528 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 80.8 m-20 -86.57 10.03 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.83 -23.26 32.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt 60.47 -75.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.642 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 61.1 tp -100.81 131.1 46.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.06 131.69 55.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.476 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 27' ' ' THR . 57.7 ttp180 -89.84 103.34 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -91.16 129.37 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.56 127.35 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.6 t-20 -105.9 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -54.61 -32.21 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.82 -70.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -94.56 -3.82 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 58.34 32.82 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -97.27 129.99 44.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.486 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -85.42 141.31 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -138.28 144.13 40.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.357 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -122.16 136.42 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.74 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -125.14 123.79 40.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -87.47 114.88 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.547 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 30.1 t70 -83.78 -39.22 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.497 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 p -58.73 129.19 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.687 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 27.8 p -102.61 17.55 23.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.687 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.79 -17.34 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.648 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -135.87 145.99 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.3 pm0 -91.87 136.67 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -87.98 116.82 26.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.624 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.406 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 25.6 m-70 -95.5 130.08 42.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.2 t -106.96 127.33 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.9 tp -143.31 92.8 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.32 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.82 133.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.6 m -108.96 138.92 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -122.18 164.2 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.734 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.9 t30 -85.89 155.43 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.62 -44.93 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 90.7 m-20 -76.99 69.73 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.489 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.8 m -153.89 112.37 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.14 81.78 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.44 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.3 pt -123.0 159.66 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 47.3 tttp -134.99 164.24 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' N ' ' HG2' ' A' ' 72' ' ' LYS . . . -97.76 142.32 29.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt -119.69 166.89 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.51 -132.58 15.54 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -93.88 -7.53 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 110.533 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -44.38 124.21 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.506 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -85.88 130.02 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 tp -121.21 128.91 52.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -151.05 148.63 28.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -103.59 148.82 25.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -101.54 169.32 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -65.22 -37.65 87.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.697 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -57.54 -24.7 57.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.593 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.697 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 100.55 51.63 1.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.4 mt-10 -138.84 151.9 47.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.555 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -103.55 140.49 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.2 t -124.39 133.46 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.14 106.72 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.0 p -119.94 144.39 47.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -161.89 137.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.475 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.13 136.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.8 t -116.8 127.5 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -90.03 153.72 47.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.92 151.5 64.86 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.687 2.258 . . . . 0.0 112.123 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 32.3 m 58.41 32.73 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.442 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 99' ' ' GLU . 62.4 tt0 -149.34 155.64 40.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -138.37 118.46 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 73.3 mm-40 -115.16 163.69 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.658 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 87.5 mmm -83.78 154.41 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -117.4 -100.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.9 pp -130.9 156.78 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -132.92 -177.4 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.54 -156.0 20.22 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -96.86 144.69 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.494 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.62 137.52 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.739 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -144.6 119.31 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.33 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.39 101.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -144.04 158.63 43.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.781 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -106.81 127.88 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.28 179.163 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -112.84 135.94 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -141.94 124.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.261 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -135.4 165.08 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.7 t70 -155.7 169.24 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.334 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.89 93.54 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.757 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.98 151.72 43.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.483 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.471 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 134.12 17.46 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.839 2.359 . . . . 0.0 112.101 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.412 ' CD2' ' OE1' ' A' ' 58' ' ' GLU . 13.9 mt -54.33 121.04 7.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.0 m -95.14 -163.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.52 ' O ' ' NE2' ' A' ' 124' ' ' GLN . 23.0 pt-20 -62.93 -33.13 74.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.73 -39.33 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -64.29 -40.71 96.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -59.96 -41.74 92.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.462 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.557 ' OE1' ' N ' ' A' ' 124' ' ' GLN . 1.2 mp0 -69.07 -36.9 78.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.543 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -57.27 -30.79 64.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.479 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -95.23 -27.88 15.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.78 90.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.478 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -61.71 -38.44 87.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -62.43 -26.33 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 56.7 t0 57.89 74.31 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.547 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 44.2 pttt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.527 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.34 19.3 64.71 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 p -151.25 159.5 44.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.694 0.283 . . . . 0.0 110.592 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.85 -25.36 0.08 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.85 33.94 23.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 7' ' ' SER . 56.5 p -70.5 163.24 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.582 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' SER . 41.0 m 54.61 164.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.578 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -102.97 166.02 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -143.8 177.36 8.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.1 p -68.92 159.44 32.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.632 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 m -165.15 -155.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 t -141.13 136.18 33.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -126.96 139.08 53.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.661 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -108.19 163.71 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.545 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.18 -52.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.3 m-20 -80.78 2.3 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.646 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.65 165.28 11.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -93.46 137.97 23.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.479 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -44.33 148.52 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -74.73 -28.18 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -94.09 141.61 28.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.55 158.19 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.71 -143.03 3.57 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -139.05 -66.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -76.84 112.68 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.622 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.35 130.87 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 t -146.48 159.47 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -97.54 134.27 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.2 -66.5 2.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -80.18 146.19 31.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.549 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -87.72 8.93 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -98.35 157.26 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 50.38 -169.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.519 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.92 -33.48 50.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.569 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 157.52 -18.42 0.37 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 33.0 mt 60.29 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.829 0.347 . . . . 0.0 110.621 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.0 tp -105.34 130.59 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -110.85 129.45 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.466 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -89.06 103.28 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.3 mt -95.37 125.81 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.65 132.44 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.582 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.1 t-20 -110.1 102.07 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -55.51 -29.7 59.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HZ1' ' CE ' ' A' ' 45' ' ' LYS . 23.9 ttpp -53.83 -54.34 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.6 ' CE ' ' HZ1' ' A' ' 44' ' ' LYS . 88.7 mttt -107.0 -2.07 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER 55.67 28.81 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -97.34 124.84 41.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.478 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -82.55 147.82 28.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.2 146.32 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.47 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -124.36 139.62 53.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.749 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -127.78 128.48 45.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.3 t-20 -94.34 124.68 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 54' ' ' THR . 30.4 p-10 -96.48 -37.78 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.557 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.91 118.75 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -88.42 2.42 52.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.659 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.499 ' CD ' ' HH ' ' A' ' 57' ' ' TYR . 7.7 tt0 -109.18 -43.97 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.499 ' HH ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -115.49 146.08 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.639 -179.607 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.618 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.9 pm0 -92.16 149.05 21.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.608 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -97.21 117.81 32.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.329 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.413 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 20.8 m-70 -97.33 126.65 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.359 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.8 t -102.4 130.44 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.6 tp -142.83 91.45 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.32 130.0 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -107.92 134.85 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.402 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -118.26 165.59 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.695 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 41.3 t30 -80.53 154.96 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.584 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -47.55 -49.81 25.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.7 t70 -78.33 78.81 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.518 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.9 m -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' ARG . 66.1 m-20 -77.85 81.08 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.408 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.5 ttmt -129.48 163.44 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.46 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -103.08 131.93 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 mt -109.98 169.6 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.625 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.8 -137.54 1.85 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -84.98 -2.6 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.509 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -45.11 113.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.541 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -82.57 122.5 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.503 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.0 tp -117.18 130.47 56.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -152.9 155.04 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.497 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -105.56 151.8 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -103.96 168.03 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -65.09 -36.41 84.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.669 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.49 -25.64 67.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.669 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 101.29 59.24 0.8 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.3 mt-10 -144.47 151.95 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.334 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -104.0 139.33 39.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.505 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.9 t -127.72 134.4 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.32 105.34 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.498 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -116.52 144.66 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.69 147.26 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.482 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.2 t -101.96 134.77 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.3 t -112.85 128.91 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.486 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -92.48 153.16 42.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.546 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 19.0 Cg_endo -58.73 161.17 15.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.742 2.295 . . . . 0.0 112.094 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 11.5 p 43.5 28.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.556 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 94.4 mt-10 -148.79 129.18 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -108.41 136.76 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.509 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -128.37 164.16 23.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.94 155.45 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -118.21 -103.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.47 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -124.64 155.74 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 72' ' ' LYS . 82.1 tt0 -133.78 158.14 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' N ' ' CG ' ' A' ' 103' ' ' GLU . . . 118.01 -160.41 13.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ASP . 61.8 ttt180 -92.58 141.58 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 110.426 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.08 136.99 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.73 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -148.84 117.87 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.05 99.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -152.59 156.84 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.736 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -110.01 135.58 50.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.327 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -114.47 134.35 55.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -139.59 126.0 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.303 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -132.68 171.72 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -163.33 171.83 15.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.426 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.16 94.62 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.738 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.428 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 6.2 mt -92.19 152.1 42.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.456 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 59.0 Cg_endo -73.8 132.0 16.55 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.84 2.36 . . . . 0.0 112.134 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.431 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 15.7 mt -52.63 115.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.9 m -85.63 -171.01 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.679 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -62.49 -26.8 68.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.486 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 20.2 pt-20 -58.26 -41.64 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.506 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 46.3 t80 -66.39 -42.17 88.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.443 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -56.22 -42.79 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.453 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -69.22 -37.49 78.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.577 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.556 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 26.0 t60 -56.03 -29.39 60.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.465 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.506 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 91.7 mt-30 -63.77 -21.36 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.62 63.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.512 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.523 ' OE2' ' CE1' ' A' ' 125' ' ' HIS . 8.9 pt-20 -67.07 -30.14 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.571 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.504 ' NZ ' ' CB ' ' A' ' 129' ' ' LYS . 8.2 mtmp? -79.85 -101.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -135.46 31.1 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.583 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.92 -178.46 52.41 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.3 m -58.17 -39.89 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.585 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.05 8.24 82.44 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.28 117.52 23.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -63.93 -30.7 71.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m -78.47 153.6 31.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.52 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -136.25 99.93 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' SER . 54.4 t30 -57.98 -38.29 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m 54.24 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' ASN . 43.0 m -64.14 170.99 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.0 t -133.52 136.32 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -124.96 127.99 47.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -100.44 166.03 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 HG11 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.07 -60.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.624 -179.097 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.4 m-20 -64.16 -27.28 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.97 162.61 17.7 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -91.43 150.29 41.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.509 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.13 137.76 35.13 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -74.78 -4.62 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -128.67 138.93 52.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.55 127.17 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.601 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.95 -111.14 3.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -145.89 -60.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.556 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.17 116.81 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.71 135.97 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 172.27 13.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -119.45 98.4 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.51 -71.2 0.28 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -75.75 134.5 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -88.74 5.2 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 20.3 tptp -102.57 150.11 23.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.509 ' C ' ' H ' ' A' ' 35' ' ' GLY . 73.8 m-20 58.36 -162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.525 ' C ' ' H ' ' A' ' 36' ' ' LEU . 19.5 t-20 -71.37 40.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.583 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 33' ' ' ASP . . . 73.32 -21.47 1.1 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' A' ' 34' ' ' ASN . 46.9 mt 60.53 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.665 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.2 tp -103.46 135.43 45.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.634 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.23 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -89.66 99.92 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.2 mt -89.57 131.7 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -133.7 127.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.44 104.52 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.17 -32.43 66.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -50.18 -55.71 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 30.4 mmtp -107.12 -5.08 18.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 57.71 31.1 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.715 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -98.06 124.53 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.8 m0 -82.1 144.8 30.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.6 145.94 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.417 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -122.68 138.18 54.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.716 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -122.5 128.94 51.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.462 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.443 ' OD1' ' OG1' ' A' ' 54' ' ' THR . 57.9 t-20 -95.7 120.29 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.632 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 20.3 p-10 -86.91 -37.43 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.503 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 36.1 p -57.31 165.41 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.8 p -128.69 7.02 5.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' CG ' ' CE2' ' A' ' 57' ' ' TYR . 9.3 pt20 -139.95 2.77 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 80.8 m-85 -126.18 130.8 51.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.525 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 6.6 pt-20 -91.68 133.68 35.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.496 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.24 123.74 35.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 -178.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.525 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 41.9 m-70 -109.75 118.17 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -98.86 132.2 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.75 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.0 tp -142.43 93.13 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.334 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.94 135.24 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -108.25 140.88 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.32 166.33 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.7 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.7 t30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.8 -51.62 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 86.3 m-20 -78.85 79.19 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.588 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 39.1 m -153.96 114.52 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.9 t0 -76.73 81.55 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -122.54 156.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 103' ' ' GLU . 15.1 ttmt -130.55 162.83 28.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -101.93 132.75 47.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.61 172.22 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.18 -138.57 1.8 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.8 5.93 47.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.51 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -49.75 121.06 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -79.97 126.48 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.4 tp -121.98 129.16 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -153.01 148.0 26.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -102.52 150.9 22.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -104.99 169.04 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -64.79 -38.01 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.683 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.93 -24.57 53.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.683 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.98 52.91 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.3 mt-10 -140.43 151.0 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.57 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -104.27 132.89 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.507 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.85 135.76 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.72 110.42 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.6 p -124.5 145.42 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.8 142.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 33.6 t -101.14 134.45 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.77 130.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.45 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.63 151.9 41.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.536 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.07 152.51 79.18 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.811 2.34 . . . . 0.0 112.038 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.6 t 61.0 28.04 17.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -156.02 156.06 33.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 m -128.29 137.76 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -128.49 158.37 38.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mmm -87.2 155.1 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.585 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 17.8 t80 -116.38 -103.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -122.07 161.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.4 tt0 -141.83 154.64 45.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.7 -156.51 16.57 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 37.6 ttm180 -96.6 141.65 29.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 110.523 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.18 137.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.801 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.588 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.8 p30 -137.37 122.27 18.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.47 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.73 156.44 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.767 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -108.54 129.26 55.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.275 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -110.91 135.53 51.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -137.17 125.87 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.246 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -133.33 167.25 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.972 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 37.1 t0 -153.31 172.31 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.474 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.97 88.98 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.729 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.84 157.14 36.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.488 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.431 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 74.1 Cg_endo -78.19 139.79 17.13 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.899 2.399 . . . . 0.0 112.131 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.0 mt -41.35 102.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.445 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 171.14 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.98 -30.09 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.396 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -59.39 -36.14 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.84 -46.5 81.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -60.77 -46.0 92.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.452 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -63.8 -35.71 81.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.63 ' NE2' ' HZ3' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -57.19 -41.74 79.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 179.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 130' ' ' ASP . 94.1 mt-30 -49.64 -18.58 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.557 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.31 69.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.437 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.514 ' OE1' ' ND1' ' A' ' 125' ' ' HIS . 7.9 pt-20 -73.73 -41.9 61.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 -178.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.63 ' HZ3' ' NE2' ' A' ' 125' ' ' HIS . 0.6 OUTLIER -89.46 -35.59 15.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.61 -179.52 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 126' ' ' GLN . 78.2 m-20 -106.2 154.31 20.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.621 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.581 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 ttp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.09 151.69 50.35 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -57.64 -36.41 71.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.12 71.35 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' GLU . . . 48.41 36.0 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -57.2 -32.81 66.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.513 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.1 m -56.22 -36.22 68.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 5' ' ' ALA . 84.7 tt0 -137.62 129.12 28.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -167.97 153.96 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.567 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.4 p -61.62 -28.42 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t 71.06 16.1 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 t -146.28 136.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.565 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.445 ' C ' HD22 ' A' ' 34' ' ' ASN . 4.2 m -129.18 143.08 50.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.667 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -115.93 164.39 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.44 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.18 -51.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.551 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 80.4 m-20 -80.82 0.76 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.3 160.36 10.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.662 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -95.37 144.74 28.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 41.1 Cg_exo -55.56 149.95 45.67 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.778 2.319 . . . . 0.0 112.198 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -82.68 -16.96 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 80.1 t80 -111.35 147.51 34.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.6 ' CG2' ' H ' ' A' ' 23' ' ' GLY . 10.6 p -134.05 176.78 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.6 ' H ' ' CG2' ' A' ' 22' ' ' VAL . . . -160.18 -109.55 0.25 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CD ' ' HZ1' ' A' ' 43' ' ' LYS . 87.1 tt0 -150.91 -60.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.603 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -89.58 110.45 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.6 135.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -135.94 171.34 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 31' ' ' GLU . 11.9 pttp -117.06 96.18 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -38.89 -66.9 0.61 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -81.39 118.79 22.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 0.0 110.61 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 78.0 mm-40 -68.94 -31.68 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.0 158.3 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 55.06 -172.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.454 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.445 HD22 ' C ' ' A' ' 13' ' ' THR . 64.9 t-20 -54.46 -35.56 63.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.52 -23.14 0.35 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt 60.78 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.339 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.5 tp -113.13 127.76 56.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -109.67 125.36 52.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.533 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -79.57 127.74 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.5 mt -113.21 129.49 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.476 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.7 t -133.42 127.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.7 t-20 -108.76 101.91 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HZ1' ' CD ' ' A' ' 24' ' ' GLU . 60.9 mttp -53.71 -31.88 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.626 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -52.88 -66.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.604 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 57.1 mmtt -94.44 -11.09 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 63.34 30.8 15.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 -179.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -96.77 127.51 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -88.65 145.23 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.37 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -122.35 139.17 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.775 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -123.64 121.18 34.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -86.06 115.43 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.668 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.551 ' OD2' ' ND2' ' A' ' 16' ' ' ASN . 25.5 t70 -88.73 -37.85 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.461 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 p -58.59 125.39 23.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.661 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 33.1 p -99.81 16.79 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.661 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -130.02 -15.62 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -134.3 148.59 50.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 4.5 pt-20 -93.22 144.01 25.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.98 125.81 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.698 -179.188 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.528 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 47.7 m-70 -112.61 125.7 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.2 t -109.16 132.1 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.819 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 tp -144.09 92.77 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.317 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 65' ' ' PHE . 31.1 t -112.14 132.71 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.749 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -105.2 141.08 37.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.337 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CZ ' ' CG1' ' A' ' 63' ' ' VAL . 19.4 m-85 -126.93 163.5 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.528 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.8 t30 -89.93 152.39 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.561 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -43.07 -45.46 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 61.7 t0 -68.98 81.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.528 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.2 p -164.73 138.08 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.57 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -100.55 51.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 pt -100.17 157.49 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.619 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.22 -170.33 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.16 139.77 46.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.2 mt -100.95 -100.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.67 -140.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.83 -3.93 25.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 110.465 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -45.28 116.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -77.89 123.16 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.1 tp -117.32 130.97 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -156.0 147.59 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -103.14 150.71 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.632 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -107.88 170.94 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.542 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.82 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.696 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.79 -24.62 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.696 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 99.3 44.23 2.4 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.6 mt-10 -131.01 153.19 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.336 . . . . 0.0 110.578 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -105.36 132.0 52.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.482 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.0 t -108.46 128.62 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.99 101.88 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.6 p -119.46 144.23 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.644 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -162.21 142.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.444 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.33 132.95 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 t -114.72 130.72 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -90.87 156.37 44.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.456 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.49 153.06 69.03 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.723 2.282 . . . . 0.0 112.098 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.6 m 61.46 19.65 10.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.543 ' OE2' ' NE2' ' A' ' 125' ' ' HIS . 94.1 mt-10 -143.45 146.89 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -126.64 125.42 41.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -118.85 155.84 30.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.4 mtp -80.85 154.29 27.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -112.98 -95.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.533 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.457 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.3 pp -133.63 163.9 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.585 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.3 tt0 -142.75 156.15 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.54 -154.98 18.75 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -96.93 135.27 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.11 136.11 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.743 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 2.6 p-10 -147.02 116.98 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.351 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 54.65 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -155.55 161.73 40.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -115.27 132.54 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.352 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -115.23 134.21 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -134.94 110.49 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -118.21 162.05 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -154.86 173.43 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.349 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.473 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.07 88.43 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.64 151.15 47.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.6 139.46 37.36 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.813 2.342 . . . . 0.0 112.138 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.1 mt -45.7 98.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.48 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.0 m -65.08 169.25 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.02 -28.48 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.4 -35.56 76.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -59.38 -41.78 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.429 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -58.8 -40.69 84.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.426 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.47 -36.83 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.543 ' NE2' ' OE2' ' A' ' 97' ' ' GLU . 21.6 t60 -58.88 -21.6 57.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -75.56 -26.96 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 130' ' ' ASP . . . -81.06 -57.31 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.517 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -46.76 -38.59 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.504 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.52 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -86.83 -6.74 58.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 127' ' ' ALA . 85.6 m-20 55.1 45.66 25.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.408 ' OXT' ' O ' ' A' ' 130' ' ' ASP . 80.8 tttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 mmt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . 80.07 26.86 54.59 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m 54.99 6.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 2' ' ' GLY . . . -169.67 117.92 0.74 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.14 143.77 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 t -58.85 -34.01 71.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -102.94 143.6 32.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -145.08 158.9 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -79.27 170.63 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -148.4 161.63 41.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 t -151.28 172.46 15.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.15 137.6 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.468 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 m -131.25 129.85 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.658 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -108.98 168.81 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.498 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -135.46 -57.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.5 m-20 -67.32 -27.61 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.79 170.32 28.54 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -89.36 149.26 42.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.48 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.28 135.92 23.39 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.808 2.339 . . . . 0.0 112.17 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 m -65.69 -32.02 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.6 138.65 42.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.16 133.84 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.52 -116.89 3.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -136.91 -61.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.586 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.63 128.01 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.72 137.82 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -133.45 171.38 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.409 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.0 95.45 5.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.41 -66.68 0.91 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -80.7 127.41 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -74.52 -18.33 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -76.7 156.64 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 53.72 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -54.03 -35.53 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.36 -19.48 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt 61.22 -78.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.65 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.9 tp -106.98 131.51 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -109.01 125.18 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -81.02 101.72 9.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -89.73 130.52 38.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -136.08 128.36 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.597 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -105.18 102.13 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -53.27 -32.26 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.68 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -52.49 -68.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 65.1 mmtt -93.82 -6.47 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 58.65 32.85 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.65 121.39 38.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.471 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.3 m0 -82.1 145.64 30.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.89 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.463 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -126.29 138.1 53.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.771 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -120.05 116.82 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.481 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -84.92 124.22 31.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.554 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 16.0 p-10 -103.82 -36.54 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.524 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.5 p -60.72 115.51 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.3 p -85.68 -4.91 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.2 tt0 -100.26 -43.97 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.462 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.2 m-85 -114.49 146.72 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.624 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.7 pm0 -91.55 146.73 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.447 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.11 119.57 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.727 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.42 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 28.4 m-70 -103.02 123.03 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.373 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.4 t -103.74 127.05 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.7 tp -142.3 91.55 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.375 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -114.83 132.43 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.808 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -109.63 135.68 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.393 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.07 161.09 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.734 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.0 t30 -84.15 160.52 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.585 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.72 -45.68 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.585 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 59.5 t0 -73.11 67.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 24.3 m -154.28 107.25 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.05 78.55 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.504 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.43 162.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' CB ' ' HZ3' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -143.22 -170.77 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.62 139.82 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.529 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' GLY . 94.3 mt -100.04 -97.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.601 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.99 -140.42 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -2.31 26.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.533 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -47.41 120.47 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -82.5 121.47 26.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -113.84 129.66 56.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -151.97 148.07 27.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -104.51 150.14 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -103.5 169.18 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -65.05 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.701 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.85 -24.52 52.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.701 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 100.11 51.6 1.24 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.7 mt-10 -139.31 151.23 46.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.57 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -104.65 141.9 35.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.83 135.4 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.596 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 106.35 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.1 p -117.29 143.02 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -162.32 141.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.491 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.96 134.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -114.34 129.73 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -93.34 151.94 40.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.33 152.49 66.56 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.732 2.288 . . . . 0.0 112.077 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.9 m 65.05 8.68 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.541 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.413 ' HG3' ' HE2' ' A' ' 125' ' ' HIS . 65.7 mm-40 -136.89 143.42 42.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.38 136.94 54.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -130.96 159.07 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.9 mmm -83.62 150.99 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -106.41 -101.14 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -129.53 161.95 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.8 tt0 -137.22 157.07 47.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.69 -163.61 15.07 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -88.77 140.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.707 0.289 . . . . 0.0 110.523 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.22 135.65 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 6.3 p-10 -147.29 118.35 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.354 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 53.62 102.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -148.89 159.09 44.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.787 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -106.8 129.5 54.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.377 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.8 m -117.39 133.33 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -137.93 123.15 19.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.231 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.1 mtm -129.36 163.85 24.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.953 0.406 . . . . 0.0 110.983 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 32.3 t0 -156.07 170.43 22.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 93.25 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.771 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.431 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 5.5 mt -90.1 151.36 44.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.4 Cg_endo -74.73 131.22 14.37 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.774 2.316 . . . . 0.0 112.154 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.468 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 14.9 mt -52.33 105.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.8 m -81.71 -177.8 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -54.73 -28.85 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.469 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -38.6 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.465 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.608 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 31.9 t80 -64.24 -40.88 96.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.366 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -55.86 -39.83 72.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.405 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -64.0 -37.1 86.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.413 ' HE2' ' HG3' ' A' ' 97' ' ' GLU . 51.8 t60 -64.28 -16.48 62.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.486 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.608 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 44.6 mt-30 -89.72 -30.3 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.538 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.85 86.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.488 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.39 -38.81 88.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.566 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -63.37 -33.09 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.516 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -70.88 146.84 49.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.604 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 15.6 mmt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.43 -118.04 11.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 1' ' ' MET . 3.9 m 64.39 4.7 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.6 141.17 47.6 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 43.69 -127.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.725 0.298 . . . . 0.0 110.598 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -61.4 153.61 26.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.4 p -159.06 -21.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.522 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 43.19 -109.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 9' ' ' ASN . 25.6 p30 -136.1 141.9 44.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 11' ' ' SER . 20.8 t -62.46 -33.87 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.598 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.435 ' OG ' ' OD1' ' A' ' 9' ' ' ASN . 38.3 m 49.86 179.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 t -140.32 137.96 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.465 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -130.16 134.13 47.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.66 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -114.85 171.07 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.458 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG11 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -58.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.658 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 68.7 m-80 -64.05 -28.39 69.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 -178.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.1 170.65 30.34 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -91.72 149.74 39.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.04 136.41 24.74 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.843 2.362 . . . . 0.0 112.166 179.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -74.22 -11.83 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.522 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -124.58 129.23 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.57 125.82 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.53 -107.38 3.21 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -143.81 -56.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -90.25 120.91 31.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.576 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -122.55 140.29 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -136.17 172.58 12.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -127.41 96.92 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -37.35 -69.1 0.32 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.34 129.74 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.615 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.589 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 10.7 pm0 -81.54 -5.56 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.622 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -89.93 154.44 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 59.02 -158.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 36' ' ' LEU . 21.2 m120 -81.28 41.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 75.05 -32.15 1.09 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 34' ' ' ASN . 24.5 mt 61.99 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' GLY . 50.1 tp -99.25 128.92 45.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.646 -179.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -112.67 136.87 51.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -99.31 101.31 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.1 mt -92.33 130.45 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.526 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.2 t -131.5 127.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -107.53 105.62 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.483 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.16 -27.8 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.635 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -51.74 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -106.35 0.2 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.62 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.5 mmtm 56.16 32.34 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -96.21 127.23 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -86.19 142.63 28.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -140.31 147.64 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.433 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.99 135.86 53.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -118.09 121.3 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.2 t-20 -91.32 134.12 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.667 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 54' ' ' THR . 24.2 p-10 -108.53 -38.02 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.429 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.533 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 9.1 p -58.53 118.82 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.5 p -88.03 -9.98 51.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.658 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.6 tt0 -94.41 -45.17 7.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -113.56 151.15 32.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.672 -179.57 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.22 150.47 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 178.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.95 119.8 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.43 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -103.74 128.52 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.37 179.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.9 t -108.02 130.03 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 tp -142.2 92.64 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.2 t -115.85 132.84 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.4 m -110.59 135.38 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.336 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -118.59 156.28 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.875 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.1 t30 -79.86 159.23 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -48.91 -41.15 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.566 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.8 t70 -79.79 70.4 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 26.8 m -154.21 113.4 3.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.78 78.2 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.424 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -120.4 156.39 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -137.88 160.49 39.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.597 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.83 138.81 31.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.507 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.1 mt -103.94 -98.59 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.212 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.09 -148.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -69.21 -2.89 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 0.0 110.472 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -46.36 117.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 -179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.11 123.65 27.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.8 tp -117.54 129.89 56.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.71 154.21 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -107.88 150.71 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -103.98 168.93 8.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -37.06 86.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.654 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.49 -24.83 61.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.638 -179.736 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.654 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 100.11 54.43 1.03 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.3 mt-10 -141.02 152.55 44.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 110.634 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -105.71 139.64 39.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.76 137.52 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.31 105.63 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -117.86 144.09 45.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -178.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.35 143.29 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.479 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.7 t -99.53 137.25 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.22 130.93 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -90.63 160.36 39.01 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.513 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.52 158.3 57.76 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.779 2.319 . . . . 0.0 112.117 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.3 t 55.87 13.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -135.97 151.14 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 m -129.24 135.04 48.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -129.06 163.29 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.52 155.24 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -114.48 -96.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.057 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -135.79 159.35 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -133.78 157.95 44.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 122.68 -161.44 16.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -94.77 139.34 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.44 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.62 135.3 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 5.4 p-10 -144.74 118.96 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.347 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.61 100.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -146.15 159.58 43.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -106.03 128.03 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.338 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -112.46 135.11 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -141.56 124.94 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.172 178.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -134.35 169.25 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.954 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -165.39 172.94 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.13 89.49 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.792 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.11 151.25 42.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.491 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.09 161.72 0.96 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.836 2.357 . . . . 0.0 112.155 178.043 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.98 108.33 16.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.2 m -67.17 170.0 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -54.45 -29.11 48.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -54.85 -38.69 67.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.497 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.418 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 37.9 t80 -63.04 -41.78 99.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.705 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -57.13 -41.76 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.449 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.66 -38.04 73.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.626 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -55.0 -28.01 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.539 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.418 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 91.5 mt-30 -62.53 -27.23 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.609 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.95 -60.3 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -68.23 -21.4 64.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.524 ' NZ ' ' OXT' ' A' ' 131' ' ' LYS . 13.1 ttpp -49.54 -37.66 27.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 55.5 t0 52.56 92.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.524 ' OXT' ' NZ ' ' A' ' 129' ' ' LYS . 12.1 ttmm . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.635 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.38 15.57 68.6 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.5 t -85.6 111.03 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.98 -169.07 45.55 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 -12.45 32.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 7' ' ' SER . 1.3 m 68.77 102.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' SER . 28.8 t 51.8 172.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -159.79 67.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -58.43 -38.39 77.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t -149.63 150.59 32.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -146.73 18.96 1.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -145.78 135.56 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.601 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -127.34 144.06 51.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.721 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -114.86 161.68 17.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.08 -51.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.221 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.6 m-20 -81.8 2.83 28.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -178.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.15 162.96 11.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -91.92 139.21 24.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.476 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.85 142.75 4.89 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.818 2.345 . . . . 0.0 112.191 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -73.24 -30.0 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 179.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 89.4 t80 -94.15 141.27 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -109.62 160.55 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.86 -133.97 1.59 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -136.68 -71.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.609 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -82.35 128.03 33.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.37 134.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -138.98 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.08 139.86 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -71.86 1.1 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -83.29 124.11 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.643 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.36 -26.7 63.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -59.67 154.54 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.565 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 35.2 t0 62.83 -145.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.565 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 11.0 t-20 -93.83 6.23 49.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.14 -20.53 10.53 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 28.2 mt 58.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.8 tp -106.37 129.19 54.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -107.38 123.74 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.531 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.0 ttp180 -80.54 122.78 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -109.52 130.85 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.516 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.32 129.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -105.13 100.93 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.544 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.67 -25.84 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.701 -179.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.659 ' HZ2' ' NZ ' ' A' ' 45' ' ' LYS . 22.3 ttpp -56.51 -66.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.623 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.659 ' NZ ' ' HZ2' ' A' ' 44' ' ' LYS . 34.6 mmtm -102.14 -1.6 31.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.596 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 42' ' ' ASN . 6.9 mmmt 55.53 38.44 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.705 -179.601 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -97.3 124.81 41.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.455 179.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 40.1 m0 -81.08 142.7 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.11 34.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.41 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -124.44 134.07 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -179.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -120.12 125.78 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 179.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.0 t-20 -91.07 130.04 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.265 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.555 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 26.6 p-10 -101.53 -37.97 8.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.542 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.9 p -58.21 118.3 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.475 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 71.9 p -90.68 11.49 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -125.42 -14.61 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.655 -179.871 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.3 m-85 -136.78 142.35 42.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.583 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 12.6 pm0 -91.95 149.31 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.617 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -97.68 121.84 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.714 -179.573 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.42 ' HE2' ' HG3' ' A' ' 58' ' ' GLU . 23.1 m-70 -103.05 126.15 50.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.36 128.14 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -142.55 91.69 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.314 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.9 t -114.58 131.58 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -110.01 133.57 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.91 163.9 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t30 -81.86 154.83 25.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -47.18 -49.34 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.6 73.39 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.8 m -154.33 115.92 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ARG . 16.3 t70 -78.18 80.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.465 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.1 pt -122.81 156.26 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.556 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.3 mtpt -128.95 166.92 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.79 135.93 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 mt -113.23 173.45 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.93 -139.17 2.17 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.01 4.26 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -50.77 122.52 7.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -81.98 129.25 34.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.0 tp -124.3 128.57 49.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -147.92 157.7 43.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -98.52 151.0 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 73.3 mm-40 -96.96 175.03 6.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -74.59 -36.16 63.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.623 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -77.76 0.73 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.314 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.623 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 83.63 68.36 1.42 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -144.74 156.21 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.607 178.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -111.15 136.93 49.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.6 t -127.64 137.19 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.64 109.53 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.511 179.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.1 p -119.47 141.83 48.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.65 139.21 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.512 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.8 t -95.34 135.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.72 135.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.437 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -99.22 152.62 37.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.57 145.0 99.58 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 0.0 111.982 -178.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 6.9 m 62.07 23.24 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.541 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 93.2 mt-10 -144.04 125.35 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -106.31 126.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -119.63 160.21 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.0 mmm -83.98 153.77 23.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.66 -103.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.538 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.465 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -124.66 156.1 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 6.0 tm-20 -135.53 158.15 45.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.09 -158.84 14.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASP . 72.6 ttt-85 -92.99 140.65 29.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.5 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.77 136.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -149.18 116.49 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.55 100.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 109' ' ' PHE . 24.2 p90 -153.06 158.44 41.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.761 -179.448 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HZ1' ' CB ' ' A' ' 110' ' ' LYS . 9.6 mtmp? -108.98 134.08 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.373 179.009 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -116.15 134.23 55.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -178.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -137.0 124.64 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.206 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.9 mtm -131.53 169.31 16.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.989 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.4 t0 -164.9 170.65 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.304 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.74 91.49 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.756 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.1 mt -87.31 166.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.512 -179.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 3.0 Cg_exo -83.6 134.18 6.41 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.783 2.322 . . . . 0.0 112.049 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.4 121.19 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.411 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -94.48 -162.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -64.87 -30.86 71.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.92 -53.4 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -56.13 -43.74 78.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -58.28 -44.03 88.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -71.56 -38.28 70.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.622 ' CE1' ' NZ ' ' A' ' 129' ' ' LYS . 24.5 t60 -51.43 -50.54 59.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -65.46 -35.73 81.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.531 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.494 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.22 -30.19 70.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.622 ' NZ ' ' CE1' ' A' ' 125' ' ' HIS . 32.7 mttp -78.73 -3.32 43.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.581 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 55.55 44.95 25.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 58.4 tttp . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.566 -179.935 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.33 147.94 44.88 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' C ' ' H ' ' A' ' 5' ' ' ALA . 19.8 t -61.55 -33.31 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.706 0.289 . . . . 0.0 110.559 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 33.79 0.89 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' A' ' 3' ' ' CYS . . . -62.47 -30.53 71.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.532 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -117.38 148.04 42.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 t -91.43 145.97 24.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.52 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 2.6 pm0 -103.25 162.43 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' OD1' ' OG ' ' A' ' 11' ' ' SER . 47.9 p-10 -79.93 152.77 29.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.1 p -62.66 -27.14 69.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.587 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.434 ' OG ' ' OD1' ' A' ' 9' ' ' ASN . 48.8 m 46.76 -169.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 t -134.19 143.11 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -132.21 149.72 52.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -130.98 170.8 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.1 -57.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.596 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.7 m-20 -66.35 -27.75 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.657 -179.007 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.23 170.71 29.53 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -91.47 149.54 39.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.545 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -70.98 133.66 23.79 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.82 2.346 . . . . 0.0 112.226 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p -71.25 -16.43 62.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.6 145.6 45.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.565 ' CG2' ' H ' ' A' ' 23' ' ' GLY . 7.5 p -137.6 176.17 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.565 ' H ' ' CG2' ' A' ' 22' ' ' VAL . . . -160.8 -109.46 0.25 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -149.4 -61.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -88.84 110.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.2 t -109.94 138.21 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -138.54 166.16 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -121.47 107.87 12.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.25 -70.01 0.52 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -87.13 121.63 29.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.622 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.52 -27.04 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.593 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -68.85 161.95 27.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.516 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 35' ' ' GLY . 69.4 m-20 58.47 -161.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.412 HD21 ' CG1' ' A' ' 15' ' ' VAL . 43.2 p-10 -79.56 18.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.69 -26.52 24.16 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 22.4 mt 62.54 -68.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.0 tp -122.31 133.42 54.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.18 130.71 54.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.3 ttp180 -88.86 109.48 20.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.612 179.485 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.445 HD13 HG22 ' A' ' 40' ' ' ILE . 64.6 mt -97.84 134.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.522 -179.473 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.23 123.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.0 t-20 -104.88 103.79 13.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -56.37 -31.67 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.683 -179.47 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -52.83 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -95.13 -2.4 50.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 54.79 33.81 20.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.706 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -101.02 127.59 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -87.23 143.94 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.74 154.01 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -129.38 141.39 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.731 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -124.47 125.31 44.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -99.3 127.51 45.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.561 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 2.4 p30 -102.8 -33.31 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.537 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 8.9 p -57.22 118.2 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.501 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 69.7 p -97.06 18.19 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.602 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.93 -16.1 4.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.669 179.798 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.5 149.99 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 3.8 pt-20 -93.46 145.28 24.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 178.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.05 124.55 37.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.076 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 52.9 m-70 -112.67 123.24 49.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.395 178.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.9 t -107.1 131.97 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.74 92.71 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -113.73 134.11 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -109.28 134.59 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.34 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.6 m-85 -117.54 163.29 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.777 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.4 t30 -84.81 153.1 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -47.51 -44.97 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.4 m-20 -78.13 71.24 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.55 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 34.8 m -153.86 116.08 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' ARG . 47.8 t0 -76.81 80.42 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 pt -123.26 158.33 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.557 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 11.8 ttpp -142.75 161.27 38.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -91.56 141.66 28.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' GLY . 96.2 mt -102.52 -98.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.399 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.73 -146.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -1.84 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.539 -179.46 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.7 m -45.96 114.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -77.14 118.41 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -113.68 127.85 56.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -151.67 148.63 28.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.51 147.28 26.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -98.82 171.7 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 84' ' ' ASN . 3.1 pp20? -68.78 -32.98 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.689 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.87 -25.2 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.689 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 102.24 51.82 1.04 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HB2' HD22 ' A' ' 84' ' ' ASN . 97.1 mt-10 -141.19 153.0 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.655 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -104.94 142.25 35.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.6 t -126.73 134.36 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.32 105.39 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.11 141.78 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.38 143.93 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 179.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -104.67 132.14 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.5 128.92 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -89.16 158.7 46.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.535 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 26.0 Cg_exo -62.02 167.85 9.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.813 2.342 . . . . 0.0 112.031 -179.574 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 14.3 p 41.56 21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 95' ' ' PRO . 67.4 mm-40 -138.74 150.17 45.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -129.27 137.69 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.47 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -133.53 159.6 39.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.8 mmm -83.95 151.23 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.585 179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -110.36 -101.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 1.8 pp -130.62 160.98 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.137 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -132.36 -178.33 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.594 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.41 -161.29 20.57 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 36.6 ttm180 -95.76 142.4 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.83 135.44 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -147.15 118.67 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 56.37 102.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -153.73 155.35 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.776 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -106.12 131.62 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.0 m -113.14 136.54 52.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -142.89 122.59 13.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.31 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -130.28 172.95 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 110.957 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.2 t0 -160.82 172.81 16.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.288 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.93 87.9 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.716 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 mt -88.72 151.65 47.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.09 139.17 35.1 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.809 2.339 . . . . 0.0 112.116 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.6 mt -46.41 104.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.2 m -73.99 -175.71 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.564 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -59.56 -31.55 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -57.25 -37.76 72.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.98 -40.95 95.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -58.29 -41.95 85.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.26 -37.63 78.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -56.01 -33.85 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.577 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -92.39 -29.82 16.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 130' ' ' ASP . . . -64.94 -38.21 90.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 128' ' ' GLU . 1.6 pp20? -65.4 -35.51 81.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.52 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 131' ' ' LYS . 9.6 mtpm? -61.14 -27.67 68.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.524 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 127' ' ' ALA . 89.4 m-20 51.03 -87.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 129' ' ' LYS . 35.4 mmtm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.571 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.465 ' C ' ' SD ' ' A' ' 1' ' ' MET . 7.4 tmm? . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . 84.01 -164.8 41.01 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -68.84 7.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' GLY . . . 83.15 23.75 53.99 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.91 69.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 0.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 56.27 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -67.85 162.1 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -141.78 161.52 37.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -79.81 157.26 27.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.9 p -134.64 154.87 51.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -96.29 -140.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.598 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.8 139.81 50.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 t -136.79 147.91 46.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -131.84 165.83 22.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.373 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.9 -62.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.179 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 76.3 m-20 -60.9 -29.21 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.654 -179.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.441 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 169.05 165.17 25.99 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' N ' ' NE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -94.19 154.41 40.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.512 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.83 132.21 12.86 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.863 2.375 . . . . 0.0 112.215 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m -65.6 -30.61 71.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.54 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -109.27 136.41 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.78 125.19 40.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.624 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.14 -111.93 3.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 1.1 pp20? -143.82 -38.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.635 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -102.27 126.7 49.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -133.91 131.01 56.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.7 t -148.37 144.25 27.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 179.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -87.89 132.73 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -68.08 1.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -88.77 127.41 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 0.0 110.689 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.03 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -64.8 143.34 58.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 70.22 179.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 35' ' ' GLY . 16.0 p30 -51.65 -32.36 29.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 153.89 -18.34 0.65 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 17.7 mt 62.76 -66.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.583 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' GLY . 14.2 tp -130.37 133.87 46.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.03 135.41 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.496 179.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -88.86 103.93 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.5 mt -94.72 120.64 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.59 130.57 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -111.09 101.61 10.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -53.99 -33.24 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.724 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -49.93 -68.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.672 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -92.1 -3.55 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.2 mmtp 55.46 32.42 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -100.67 127.53 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -86.46 147.62 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.39 149.46 33.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -124.05 142.49 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.441 ' OH ' ' O ' ' A' ' 17' ' ' GLY . 59.4 t80 -125.09 123.43 39.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -95.22 132.95 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 54' ' ' THR . 3.9 p30 -110.9 -29.02 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.397 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.559 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -62.55 119.2 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.54 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.682 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 68.2 p -95.33 14.36 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.682 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -128.69 -13.89 4.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.8 m-85 -135.97 147.35 48.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.714 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CD ' ' HE2' ' A' ' 60' ' ' HIS . 1.3 pt-20 -92.73 146.11 23.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -94.15 119.82 33.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.299 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.521 ' HE2' ' CD ' ' A' ' 58' ' ' GLU . 52.3 m-70 -110.01 119.68 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.295 178.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -102.98 133.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.752 -178.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp -141.91 91.64 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -112.41 131.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.4 m -109.3 133.45 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.349 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -117.02 156.92 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -179.809 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.7 t30 -79.01 156.18 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.548 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.04 -44.2 30.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -77.02 70.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 35.5 m -153.89 114.05 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -79.28 77.86 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 pt -119.44 155.84 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.636 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -135.56 164.23 28.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.63 -179.547 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' H ' ' HG2' ' A' ' 72' ' ' LYS . . . -95.76 139.03 32.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.502 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.6 mt -102.66 -102.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -58.12 -151.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.382 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -59.18 -4.21 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.524 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 75' ' ' GLY . 63.4 m -45.09 109.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.59 -179.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -77.85 119.95 22.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 tp -113.63 131.08 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.648 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -152.95 150.88 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' C ' ' NE2' ' A' ' 82' ' ' GLN . 63.2 tt0 -108.21 152.59 24.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.684 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.459 ' NE2' ' C ' ' A' ' 81' ' ' GLN . 17.9 mm-40 -107.83 169.29 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.09 -37.39 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.7 HD21 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.37 -24.91 61.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.871 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.7 ' N ' HD21 ' A' ' 84' ' ' ASN . . . 98.59 53.66 1.2 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.431 ' HB2' HD22 ' A' ' 84' ' ' ASN . 98.1 mt-10 -138.94 146.33 40.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.599 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.38 140.01 36.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -126.42 133.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.92 103.15 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -114.66 146.03 41.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 p -162.07 152.27 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.521 179.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.3 t -111.66 136.45 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.638 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.2 t -117.28 131.69 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -91.27 157.73 42.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.35 154.93 68.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.797 2.331 . . . . 0.0 112.023 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 18.0 t 56.45 25.85 10.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.472 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.419 ' OE1' ' CE1' ' A' ' 125' ' ' HIS . 63.8 tt0 -147.01 156.36 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.536 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.8 m -132.25 135.14 46.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -129.76 154.74 46.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.656 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.8 mtp -80.95 153.56 27.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -112.17 -101.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.469 ' CD1' ' C ' ' A' ' 102' ' ' ILE . 2.1 pp -128.13 161.35 36.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -137.07 157.42 46.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.621 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.84 -161.37 14.32 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -91.82 136.69 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 t -110.55 128.89 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.6 t30 -135.93 120.39 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.18 99.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -145.8 152.41 39.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.794 -179.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -108.73 133.36 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.339 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -111.29 134.76 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -178.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -139.92 113.89 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.288 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 79.3 mtm -119.97 168.58 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.024 -178.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -162.48 171.65 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.386 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.12 88.63 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.4 mt -86.27 165.15 35.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 4.7 Cg_exo -79.19 151.18 23.29 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.794 2.329 . . . . 0.0 112.137 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.42 119.49 20.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.1 m -88.98 -175.48 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.594 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 120' ' ' GLU . 1.8 pp20? -58.59 -29.41 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.85 -41.46 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.574 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 22.1 t80 -64.73 -41.39 95.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -55.92 -38.83 70.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.466 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -69.42 -38.99 78.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.578 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.419 ' CE1' ' OE1' ' A' ' 97' ' ' GLU . 35.7 t60 -57.06 -33.23 67.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.574 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 97.0 mt-30 -57.94 -37.9 74.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.512 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 131' ' ' LYS . . . -64.0 -36.49 84.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.483 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.92 -37.53 87.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.534 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.0 -38.28 85.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.506 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 131' ' ' LYS . 1.0 OUTLIER -93.4 -53.72 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 18.6 tptm . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.615 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.709 0.29 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.35 -58.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.5 m120 -64.57 -26.19 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.13 160.44 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -90.09 149.38 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.549 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.05 137.37 37.37 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.77 2.313 . . . . 0.0 112.236 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 p -78.7 0.89 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -131.89 139.16 48.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.34 126.67 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.72 -109.93 3.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -141.01 -58.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -93.82 127.42 39.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -122.18 134.4 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.02 158.55 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 20.8 pttp -104.41 132.35 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.548 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.33 -65.6 2.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -79.45 132.45 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -88.72 49.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.587 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -149.64 143.62 25.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 68.95 -170.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.442 HD22 HG11 ' A' ' 15' ' ' VAL . 82.5 m-20 -50.88 -31.57 17.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 148.98 -19.47 1.23 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 61.11 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.604 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.9 tp -119.25 128.99 54.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.622 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.19 124.26 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -80.38 117.41 21.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.632 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.01 128.89 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 48' ' ' TRP . 44.0 t -132.96 129.13 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.532 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 46' ' ' LYS . 61.3 t30 -107.14 102.5 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.537 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.75 -31.42 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' HB3' ' ND2' ' A' ' 42' ' ' ASN . 26.4 ttmt -56.0 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 63.0 mttp -87.6 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 42' ' ' ASN . 2.4 mmtp 55.81 31.74 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -102.45 128.29 49.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.479 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.432 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 33.5 m0 -83.63 153.35 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.08 143.89 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.437 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.37 138.51 54.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' O ' HD12 ' A' ' 37' ' ' LEU . 27.6 t80 -122.29 124.21 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.482 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.59 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.5 t-20 -88.81 124.85 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.72 -47.54 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.496 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.449 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 11.3 p -56.96 135.9 56.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.505 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.416 ' H ' ' HG1' ' A' ' 55' ' ' THR . 36.4 p -104.53 12.57 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.441 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -127.59 -12.22 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -129.15 138.23 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.57 138.9 31.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.605 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.44 123.04 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -178.658 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -109.67 122.96 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.293 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.1 129.92 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 tp -142.05 92.74 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.9 t -113.35 131.01 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -107.99 134.13 51.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.357 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -116.88 159.36 22.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.8 t30 -79.99 157.62 26.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -47.65 -51.08 22.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.519 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 58.2 t0 -75.3 75.26 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.5 m -154.47 113.71 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 50.3 t0 -78.57 80.03 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 pt -121.28 158.96 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 103' ' ' GLU . 29.7 ttpt -132.0 165.74 23.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.626 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -103.92 136.62 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt -112.08 174.36 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.37 -138.56 1.42 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 3.67 54.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.1 m -48.31 124.76 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -83.61 126.53 32.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 41.6 tp -122.54 127.87 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.551 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -149.71 153.97 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -107.7 150.12 27.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -100.64 170.18 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -63.06 -24.59 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.23 57.25 0.85 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -143.6 149.68 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.548 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -103.77 140.66 37.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.483 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.486 ' O ' HD12 ' A' ' 79' ' ' LEU . 89.5 t -127.92 135.82 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.67 113.44 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -121.7 144.84 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 p -162.93 139.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -102.35 135.57 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.35 130.11 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.466 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -93.3 152.05 40.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.1 159.32 12.66 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.4 m 53.58 28.32 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -153.16 155.96 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.1 m -134.63 135.26 42.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -129.46 155.91 44.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.1 mtp -83.05 155.58 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.6 t80 -116.0 -103.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.04 163.19 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.9 tt0 -141.76 154.6 45.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.58 -159.29 14.42 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.6 ttt180 -94.39 138.21 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.537 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -109.57 130.66 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.4 t30 -135.2 120.94 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.79 97.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD1' HG12 ' A' ' 106' ' ' VAL . 21.6 p90 -145.68 157.84 43.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.788 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -116.98 135.55 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.312 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m -113.86 133.49 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.977 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -136.42 121.25 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.233 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.6 mtm -127.17 165.26 19.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.997 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 45.0 t0 -156.31 174.96 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.354 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.97 88.0 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.813 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.09 151.84 45.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' SER . 57.4 Cg_endo -72.92 135.64 23.67 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.144 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 122' ' ' TYR . 54.3 mt -41.48 98.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' PRO . 29.6 m -66.92 177.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.06 -29.52 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.434 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.55 -35.19 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.469 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 118' ' ' LEU . 58.0 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.63 -52.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.253 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 15' ' ' VAL . 26.0 m120 -81.84 4.62 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.656 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.66 155.94 9.15 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.637 ' H ' ' NE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -85.95 149.39 50.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.82 148.97 20.91 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.866 2.377 . . . . 0.0 112.189 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.3 m -79.04 -19.57 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -113.06 140.63 47.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.76 129.78 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.99 -118.51 3.11 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -136.98 -62.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.594 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -92.1 129.19 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.69 132.89 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.95 133.5 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.474 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -93.65 132.82 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.31 -69.6 1.29 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -88.16 132.0 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.619 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.85 4.18 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -91.77 154.18 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 37.8 t0 61.69 -141.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.523 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 24.6 p-10 -92.33 13.22 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.87 -19.45 44.05 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.5 mt 59.89 -76.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.623 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.6 tp -112.93 131.51 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -108.49 125.3 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -81.76 112.07 18.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.64 130.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 48' ' ' TRP . 41.7 t -132.23 127.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 46' ' ' LYS . 54.1 t30 -105.96 103.75 13.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.0 -30.67 64.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HZ2' ' HG3' ' A' ' 45' ' ' LYS . 24.9 ttpp -58.25 -57.93 10.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.627 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 89.3 mttt -99.16 -4.07 33.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 54.01 28.19 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.763 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.97 127.78 44.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.457 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.2 m0 -85.88 147.33 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.92 147.05 32.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.495 ' CD1' HD21 ' A' ' 37' ' ' LEU . 57.8 m-85 -123.73 138.83 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.826 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.632 ' O ' HD12 ' A' ' 37' ' ' LEU . 60.9 t80 -125.44 127.07 45.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.525 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 39.0 t-20 -96.2 131.34 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 54' ' ' THR . 39.9 p-10 -102.18 -35.48 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.521 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.7 122.44 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.517 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 47.3 p -97.04 15.5 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.19 -15.58 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -135.75 145.82 47.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -93.32 145.86 24.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.517 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.553 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.59 122.35 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.641 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.41 ' CE1' HD12 ' A' ' 116' ' ' LEU . 48.1 m-70 -108.53 117.53 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.437 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.38 134.46 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 tp -142.87 91.31 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.365 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.29 135.05 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -113.09 135.0 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.397 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -118.69 164.24 15.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 36.2 t30 -82.95 154.69 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.56 -44.74 36.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.5 m-20 -79.55 72.78 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 33.8 m -153.58 116.83 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 105' ' ' ARG . 43.5 t0 -77.65 80.11 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -122.15 155.52 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 34.7 tttp -136.01 162.03 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -95.45 145.61 25.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' GLY . 63.6 mt -112.91 -103.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.53 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.9 -158.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -53.33 -6.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.507 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 75' ' ' GLY . 90.5 m -44.9 111.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -80.65 121.29 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 57.3 tp -113.65 131.75 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -153.58 153.76 32.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.25 151.94 25.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -106.61 168.43 9.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.49 -37.18 86.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -59.72 -25.2 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.85 56.42 1.02 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -140.92 146.79 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.354 . . . . 0.0 110.613 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -101.14 137.74 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 79' ' ' LEU . 81.9 t -126.12 135.41 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.0 103.54 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.1 p -113.8 144.83 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.61 147.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.22 134.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.714 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.51 133.02 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -90.0 154.3 47.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.75 148.06 84.96 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.794 2.33 . . . . 0.0 112.092 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 m 59.63 30.78 20.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -149.19 135.35 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.579 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -117.2 123.98 47.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -119.35 163.43 17.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -81.21 153.7 27.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -115.77 -94.24 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.703 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -134.07 155.51 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.7 tt0 -132.04 155.15 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.66 -159.71 18.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASP . 58.5 ttm-85 -94.69 141.71 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.479 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.97 135.92 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -140.53 121.79 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.315 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.81 98.35 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -139.77 156.31 46.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.709 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -106.94 129.28 54.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.2 m -111.85 134.42 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -138.28 121.69 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 113' ' ' MET . 2.8 mpp? -133.17 171.29 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 111.04 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.4 t0 -160.35 172.55 17.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.31 87.42 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.76 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 60' ' ' HIS . 12.6 mt -87.37 150.18 48.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.72 149.43 60.73 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.817 2.345 . . . . 0.0 112.119 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.65 128.65 36.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.7 m -95.33 -170.61 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.57 -31.01 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.471 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.26 -39.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.0 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.513 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.692 0.282 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -60.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 -179.182 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.571 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.8 m120 -63.67 -28.47 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.682 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.22 161.4 18.01 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -92.77 149.14 37.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.476 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.65 139.03 27.52 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.838 2.359 . . . . 0.0 112.226 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -85.48 9.04 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -136.32 127.95 28.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.06 128.56 68.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.25 -114.79 3.49 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -136.52 -59.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -89.72 116.92 28.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.56 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -119.33 131.85 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -139.96 171.18 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.2 mttm -114.93 97.08 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -33.57 -77.45 0.04 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -66.59 137.35 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.664 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 2.6 pm0 -94.96 31.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -132.15 159.11 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 58.25 -149.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -84.14 20.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 95.46 -23.84 31.92 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 23.9 mt 60.09 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.2 tp -105.95 134.03 49.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -108.79 128.25 54.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -85.74 110.63 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -103.74 130.86 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 48' ' ' TRP . 43.9 t -132.56 126.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.654 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.1 t-20 -102.85 104.3 14.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.07 -32.37 70.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.693 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -59.34 -52.39 65.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -100.81 -6.09 25.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 55.73 22.42 5.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.686 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -97.29 127.91 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.442 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.2 m0 -83.53 153.81 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.96 145.19 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -124.42 137.13 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.578 ' O ' HD12 ' A' ' 37' ' ' LEU . 53.3 t80 -121.39 122.77 40.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 130.93 38.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 54' ' ' THR . 25.7 p-10 -106.8 -35.4 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.539 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.5 p -58.21 120.31 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 63.1 p -95.52 13.35 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -126.02 -15.83 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.661 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -136.16 145.41 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.23 145.14 24.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 121.93 34.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 116' ' ' LEU . 48.3 m-70 -108.16 121.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -101.8 131.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.825 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 tp -142.05 92.37 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.305 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.95 131.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -110.08 135.23 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.383 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -118.22 158.06 25.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.734 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.532 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 40.4 t30 -76.76 157.2 31.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -47.27 -45.97 24.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.582 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.3 t70 -80.82 77.2 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.5 m -154.78 112.45 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.4 t0 -76.27 80.71 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.464 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 65' ' ' PHE . 23.5 pt -123.84 159.35 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.59 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.8 mtpt -132.03 171.19 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.612 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -109.38 136.37 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.54 173.3 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.589 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.88 -137.88 1.35 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -87.14 -2.8 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.5 m -44.54 117.13 1.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -81.85 126.94 32.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 43.8 tp -121.45 127.25 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.608 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -147.84 154.03 39.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -106.86 151.84 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -103.18 165.92 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.99 -35.83 81.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.506 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -63.54 -25.12 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.67 61.8 0.76 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -144.55 146.39 32.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -102.4 136.37 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.508 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.514 ' O ' HD12 ' A' ' 79' ' ' LEU . 88.6 t -126.0 139.7 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.512 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.08 108.07 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.5 p -118.67 143.9 46.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.644 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.88 144.82 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -103.25 135.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.651 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 t -114.93 128.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -90.12 156.56 46.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.453 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.93 155.71 58.7 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.77 2.314 . . . . 0.0 112.074 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 34.3 t 55.43 22.82 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -144.64 145.41 31.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.58 138.57 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -133.8 163.43 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.3 mmm -86.93 155.14 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CG ' HG23 ' A' ' 102' ' ' ILE . 19.7 t80 -116.68 -102.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.41 HG23 ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.87 161.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.8 tt0 -139.92 153.44 46.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.92 -159.44 15.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.9 ttt180 -95.94 139.39 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -119.88 132.38 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 3.4 p-10 -139.27 118.65 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.25 97.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 106' ' ' VAL . 19.5 p90 -145.79 157.4 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.806 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -108.54 127.57 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.288 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -111.04 134.88 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -136.87 123.64 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.244 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.1 mtm -130.18 162.42 28.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 110.95 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.4 t0 -156.64 172.17 19.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.6 87.24 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.691 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 60' ' ' HIS . 12.1 mt -85.74 150.51 53.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.65 146.4 48.91 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.827 2.352 . . . . 0.0 112.089 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.411 HD22 ' CG ' ' A' ' 122' ' ' TYR . 16.4 mt -68.16 111.76 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 m -86.93 -168.11 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.9 -30.71 69.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 11.4 pt-20 -55.29 -41.54 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.43 ' N ' ' CG ' ' A' ' 121' ' ' GLU . 42.2 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.464 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.742 0.306 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.93 -56.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' N ' HG22 ' A' ' 15' ' ' VAL . 28.7 m120 -71.0 -23.55 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.83 162.7 10.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.766 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -92.56 145.65 30.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.514 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.82 152.7 12.93 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.82 2.347 . . . . 0.0 112.189 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.0 m -83.44 -21.82 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 79.7 t80 -96.2 141.39 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.505 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -102.16 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.53 -144.23 3.98 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -131.58 -73.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -75.49 124.25 26.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.604 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.44 129.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -148.44 161.35 41.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -96.69 134.0 40.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.49 -60.7 4.55 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -78.65 145.22 34.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.618 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -95.13 26.15 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -121.81 154.46 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 31.0 t0 57.08 -155.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.548 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 25.7 m120 -65.03 -33.34 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 159.01 -22.44 0.31 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 19.2 mt 61.35 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.9 tp -106.6 131.86 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.619 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.97 130.97 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.533 ' NH1' ' OH ' ' A' ' 50' ' ' TYR . 36.3 ttm-85 -89.42 115.59 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.3 mt -106.01 128.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.49 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.74 131.17 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t-20 -107.84 102.55 11.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -56.77 -27.76 60.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -54.76 -58.43 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HB3' ' HZ3' ' A' ' 45' ' ' LYS . 7.8 mtpm? -107.15 1.19 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.641 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 55.09 30.37 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.745 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' OE1' ' NZ ' ' A' ' 45' ' ' LYS . 20.0 pt20 -98.21 127.3 44.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.496 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 37.2 m0 -82.45 152.21 26.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.608 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.19 145.18 28.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.533 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 52.7 m-85 -120.31 142.43 49.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.721 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -130.19 123.81 31.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.474 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.596 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 5.5 t-20 -89.06 134.71 33.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 54' ' ' THR . 29.7 p-10 -106.51 -36.22 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.561 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -63.5 118.58 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.492 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.6 p -90.19 12.3 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -124.71 -19.28 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.653 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -134.84 142.36 46.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.598 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.9 pm0 -91.85 142.53 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.78 116.92 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.661 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.451 ' CE1' HD12 ' A' ' 116' ' ' LEU . 22.8 m-70 -95.11 128.16 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 50' ' ' TYR . 58.1 t -101.74 129.88 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.13 91.44 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.366 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.22 134.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -111.86 136.05 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.366 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.99 165.92 14.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.499 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 8.9 t-20 -82.19 157.04 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -49.96 -48.68 52.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 51.4 p30 -79.12 77.81 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.9 m -153.65 116.0 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.5 m-20 -75.92 80.64 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 pt -124.59 157.09 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 103' ' ' GLU . 14.0 ttmt -132.22 162.88 29.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -101.18 136.71 40.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -111.96 172.37 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.05 -137.8 1.92 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' NZ ' HG23 ' A' ' 91' ' ' VAL . 1.3 ptmm? -90.78 -0.15 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.489 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -45.02 121.34 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -81.4 127.66 33.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 88' ' ' VAL . 50.8 tp -125.09 130.8 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -152.62 157.22 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.406 HE21 ' HA2' ' A' ' 85' ' ' GLY . 62.8 tt0 -108.52 151.24 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.525 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -104.7 167.13 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.549 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.93 -36.2 82.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -61.75 -25.23 67.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.57 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.406 ' HA2' HE21 ' A' ' 81' ' ' GLN . . . 99.21 59.19 0.89 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -142.96 147.97 36.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -102.3 137.34 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 87.6 t -126.85 134.36 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.12 113.88 11.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.502 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.4 p -124.28 143.86 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.484 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 9.5 p -161.67 139.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.432 HG22 ' ND1' ' A' ' 60' ' ' HIS . 59.2 t -94.25 139.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.678 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.0 t -118.63 132.74 67.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.413 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -93.53 152.91 41.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.499 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.68 151.09 78.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.667 2.245 . . . . 0.0 112.091 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.4 t 60.04 31.22 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -150.27 155.95 40.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -135.22 116.75 14.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.04 165.27 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.8 mmm -86.44 155.59 20.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.625 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -120.14 -103.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -122.02 159.21 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.8 tt0 -137.71 153.1 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.67 -158.95 16.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' ASP . 25.7 ttm105 -95.93 140.36 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.45 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.496 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.8 t -123.87 137.5 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -137.9 122.27 18.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.352 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.74 97.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -138.87 156.13 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.753 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -107.52 129.76 54.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.37 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.4 m -112.63 136.52 52.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -140.37 126.02 19.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.176 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -134.66 163.37 29.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.987 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 39.3 t0 -149.77 171.56 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.299 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 92.51 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 60' ' ' HIS . 7.8 mt -91.98 150.79 41.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.482 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.7 Cg_endo -74.81 135.03 18.92 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.795 2.33 . . . . 0.0 112.128 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.441 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.8 mt -54.78 138.81 41.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.343 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -110.58 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.559 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.86 -32.23 60.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.544 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.8 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.409 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.739 0.305 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.02 -55.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.626 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 15' ' ' VAL . 34.8 m120 -76.49 -23.8 53.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.16 175.46 29.12 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -91.49 158.3 40.87 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.89 141.47 30.25 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.873 2.382 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.43 ' CB ' ' HG1' ' A' ' 98' ' ' THR . 21.2 p -74.93 -14.52 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -121.34 151.14 40.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.499 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.774 HG22 ' H ' ' A' ' 23' ' ' GLY . 9.0 p -136.56 176.35 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.774 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -161.29 -113.67 0.32 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -143.92 -57.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.616 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -92.99 128.28 38.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.28 134.23 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -147.84 159.6 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.49 121.73 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.86 -70.14 1.05 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -73.01 -131.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.526 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -170.47 51.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -154.09 150.32 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 43.1 t0 61.02 -135.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.506 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.552 HD21 ' HZ ' ' A' ' 38' ' ' PHE . 5.5 p-10 -90.36 12.29 18.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.2 -16.82 56.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 60.89 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.644 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.3 tp -107.84 134.11 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.552 ' HZ ' HD21 ' A' ' 34' ' ' ASN . 59.3 m-85 -110.42 137.65 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.528 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -90.55 102.72 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.75 124.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 48' ' ' TRP . 38.2 t -132.4 127.93 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -109.15 103.88 12.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -57.57 -31.4 66.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.668 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -55.43 -55.0 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.8 mmtt -102.99 -4.67 24.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.638 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 54.29 32.16 15.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.685 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -102.38 125.69 49.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.486 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CD1' HG13 ' A' ' 41' ' ' VAL . 37.3 m0 -84.14 146.33 27.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.5 148.64 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.365 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.465 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 65.4 m-85 -122.55 146.39 47.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 37' ' ' LEU . 51.4 t80 -131.78 122.47 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.446 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 64.9 t-20 -92.02 137.38 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 31.3 p-10 -112.26 -36.84 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.71 123.51 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.1 p -96.84 13.67 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.65 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -126.29 -13.48 6.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.7 m-85 -138.66 145.08 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.2 pt-20 -92.77 146.42 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.454 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.02 117.66 30.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.705 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.419 ' CE1' HD12 ' A' ' 116' ' ' LEU . 43.2 m-70 -105.71 123.6 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.318 179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.76 133.54 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.768 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.11 92.39 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.69 131.69 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.794 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -111.73 131.07 55.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.391 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -115.41 160.13 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.782 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.2 t30 -75.52 155.51 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.61 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -49.06 -45.0 42.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 63.1 t0 -79.54 74.43 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 31.8 m -154.15 114.96 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.594 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.1 m-20 -76.75 80.33 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.74 154.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.1 mtpp -127.91 169.95 13.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -106.53 141.23 38.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 75' ' ' GLY . 14.1 mt -120.37 174.08 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' LEU . . . 38.77 -137.56 0.95 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.511 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.4 m -45.49 117.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -85.09 124.36 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.536 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 56.3 tp -119.03 131.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -151.51 154.04 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.561 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.93 150.7 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -101.74 169.56 8.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.04 -34.99 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -66.77 -24.54 66.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.28 63.87 0.77 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -144.44 147.43 33.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -102.91 137.58 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.9 t -130.65 133.22 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.57 107.59 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.3 p -115.31 143.96 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.634 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.73 139.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.442 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.73 135.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.36 135.06 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.47 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -97.81 153.41 38.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.67 152.19 50.4 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.781 2.321 . . . . 0.0 112.135 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.2 t 51.48 42.13 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.497 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -156.32 156.87 34.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.43 ' HG1' ' CB ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -135.25 144.76 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -140.52 162.32 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.608 -179.226 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.5 mmm -88.07 142.44 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' HG23 ' A' ' 102' ' ' ILE . 17.0 t80 -104.05 -102.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -124.13 154.78 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 72' ' ' LYS . 84.4 tt0 -131.96 156.42 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.573 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.18 -160.05 14.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.4 ttm-85 -93.55 139.92 30.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.468 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.7 t -121.77 135.67 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.797 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -148.45 116.13 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.325 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.82 99.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CD1' HG12 ' A' ' 106' ' ' VAL . 23.7 p90 -151.12 154.24 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -105.42 132.42 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.309 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 m -117.26 132.94 56.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -136.77 119.41 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.196 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 75.0 mtm -124.44 163.42 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.019 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -157.7 170.99 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.22 88.56 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.72 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.419 HD12 ' CE1' ' A' ' 60' ' ' HIS . 18.5 mt -85.75 164.41 39.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.443 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 6.1 Cg_exo -75.8 152.74 37.48 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.778 2.318 . . . . 0.0 112.074 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.64 111.26 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -80.26 -165.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -66.4 -30.49 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -54.95 -38.22 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.428 179.672 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.793 0.33 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.94 -49.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -88.12 4.24 46.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.705 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.76 173.03 13.42 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.6 153.13 50.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.77 149.77 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.822 2.348 . . . . 0.0 112.209 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.506 ' HG1' ' CB ' ' A' ' 98' ' ' THR . 17.1 p -84.73 2.31 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -132.59 145.28 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.486 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.71 141.62 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.15 -111.97 1.37 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -145.19 -62.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.623 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.92 119.74 31.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -110.95 135.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -137.15 170.91 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -132.94 115.32 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.05 -65.7 3.36 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.66 121.91 32.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -73.65 -23.04 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.551 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -56.94 158.29 5.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.7 t0 55.78 -143.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.538 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 81.5 m-20 -90.91 8.97 32.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.35 -20.75 10.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 51.5 mt 56.73 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.665 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 51' ' ' TYR . 15.3 tp -107.83 130.37 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -109.63 126.46 53.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.485 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' THR . 60.5 ttp180 -84.22 123.2 29.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.14 131.41 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.507 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -134.24 128.99 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' LYS . 54.6 t30 -109.24 103.55 12.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -54.81 -31.95 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.683 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 44.5 mtmt -97.94 -2.34 40.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 58.09 37.63 26.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -100.18 126.16 46.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.491 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 37.5 m0 -85.21 144.92 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.79 146.01 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CD2' HG21 ' A' ' 61' ' ' VAL . 66.6 m-85 -123.88 136.27 54.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 37' ' ' LEU . 56.0 t80 -119.31 126.38 51.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.44 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 52.0 t-20 -95.32 133.85 38.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 54' ' ' THR . 22.5 p-10 -105.08 -40.73 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.532 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.4 p -58.62 116.42 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -86.76 -4.16 59.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.9 tt0 -95.3 -46.58 6.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.97 150.5 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -93.47 150.26 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.519 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.82 122.73 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.48 ' ND1' HG22 ' A' ' 92' ' ' VAL . 39.0 m-70 -106.63 119.15 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.381 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 50' ' ' TYR . 75.8 t -97.71 132.93 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -143.35 92.07 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.348 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.4 t -113.18 134.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.8 m -112.49 134.46 54.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.412 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.03 163.01 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.1 t30 -81.22 160.27 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.8 -52.38 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.45 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 56.3 t0 -74.34 76.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.9 m -154.27 113.2 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' ARG . 42.8 t0 -76.64 79.92 3.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.538 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.73 156.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -138.12 160.79 38.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -91.53 140.5 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.544 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.7 mt -103.02 -101.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.59 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.0 -154.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -59.99 -2.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.545 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 75' ' ' GLY . 60.7 m -46.41 116.64 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -80.08 123.28 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 52.0 tp -118.27 132.48 56.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -155.31 154.64 32.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -108.78 151.38 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -105.07 168.28 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.92 -36.37 83.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -60.74 -25.18 66.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.25 57.6 0.95 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -142.19 146.09 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.578 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.45 138.78 38.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' HD12 ' A' ' 79' ' ' LEU . 91.1 t -126.78 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.25 106.47 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.6 p -117.31 143.07 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.16 145.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.48 HG22 ' ND1' ' A' ' 60' ' ' HIS . 49.8 t -101.83 134.22 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.35 134.55 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.486 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -92.95 156.14 40.77 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.528 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.501 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 33.4 Cg_exo -56.55 162.76 7.77 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.725 2.283 . . . . 0.0 112.083 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 15.1 p 40.82 25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.416 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' PRO . 57.2 mm-40 -142.4 130.77 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.506 ' CB ' ' HG1' ' A' ' 20' ' ' THR . 0.7 OUTLIER -114.1 122.1 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.529 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -112.92 160.27 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 82.7 mmm -82.05 149.87 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -111.54 -101.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.72 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -127.28 156.7 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.2 tt0 -133.9 153.75 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.67 -161.03 18.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ASP . 71.7 ttt180 -92.4 141.28 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.491 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.3 t -123.56 133.6 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -134.98 121.46 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.293 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.81 98.46 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -139.77 156.63 46.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.757 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -110.3 127.79 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.331 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -107.51 135.7 48.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -140.9 124.89 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -133.73 172.79 12.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.5 t70 -165.58 170.2 14.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.361 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.86 94.66 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.787 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mt -96.94 152.51 38.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.415 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 161.52 2.21 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.829 2.352 . . . . 0.0 112.107 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.74 123.91 32.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.428 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -83.02 178.91 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.93 -29.97 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.46 -38.17 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 31.1 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.4 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.94 -57.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.599 -179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.517 ' N ' HG22 ' A' ' 15' ' ' VAL . 28.1 m120 -65.53 -25.75 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.712 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.7 174.31 26.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -99.68 137.74 20.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.43 148.46 5.2 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.83 2.353 . . . . 0.0 112.198 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -84.17 -0.66 52.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.479 ' HZ ' HE21 ' A' ' 47' ' ' GLN . 76.9 t80 -127.51 138.44 52.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.76 129.94 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.633 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.37 -104.17 2.38 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.49 -59.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -96.8 125.97 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.29 140.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -144.07 170.61 15.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 108.57 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.69 -71.36 0.4 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.41 125.41 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.637 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 51.7 mp0 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -64.12 160.32 18.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' CB ' HD21 ' A' ' 36' ' ' LEU . 64.9 m-20 57.65 -158.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -79.67 8.91 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 112.08 -28.48 9.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.6 mt 60.41 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.69 0.281 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 56.5 tp -101.3 126.0 48.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -107.8 125.29 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' THR . 55.0 ttp180 -88.85 115.14 26.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.5 mt -104.89 130.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.29 129.34 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.5 t-20 -106.49 101.97 11.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.554 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -54.09 -29.79 45.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.726 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -51.65 -70.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.673 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -93.87 -2.15 53.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 57.98 30.95 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.479 HE21 ' HZ ' ' A' ' 21' ' ' PHE . 15.8 pt20 -96.88 128.94 44.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.406 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 35.6 m0 -83.98 142.4 30.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.04 144.51 38.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.418 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -123.46 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -125.12 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.503 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 53.4 t-20 -92.22 129.41 38.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.705 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 54' ' ' THR . 23.8 p-10 -103.25 -38.93 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.463 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.555 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.8 p -59.2 117.2 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -89.06 0.66 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -113.21 -16.21 12.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -135.63 149.1 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.668 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -93.97 142.99 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.46 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.662 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.66 121.76 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.444 ' ND1' HG22 ' A' ' 92' ' ' VAL . 47.3 m-70 -106.47 131.57 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.321 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.2 t -111.54 132.42 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.773 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 tp -143.28 95.27 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -115.86 130.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.743 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -108.26 133.13 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.37 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.02 160.4 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.5 t30 -79.15 153.63 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -47.3 -43.69 22.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-20 -79.28 72.1 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.623 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 37.5 m -153.85 112.08 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.606 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -77.44 80.5 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.424 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.57 158.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.603 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 15.5 ttmt -132.34 162.48 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -96.47 138.97 33.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.5 mt -116.59 167.92 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.31 -135.51 9.56 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -92.51 -2.12 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.3 m -47.5 123.0 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -85.12 127.87 34.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 60.5 tp -122.28 130.78 53.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.576 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.19 152.55 33.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -107.82 151.06 26.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.603 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -105.07 169.78 8.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -65.23 -34.46 78.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -64.35 -25.24 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.87 55.17 1.01 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -136.12 141.58 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.46 133.86 42.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.4 t -121.35 129.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.642 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.11 107.8 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.508 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 p -119.61 144.46 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.91 139.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.473 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.444 HG22 ' ND1' ' A' ' 60' ' ' HIS . 40.1 t -97.76 133.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.0 t -112.8 130.33 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.25 152.77 39.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.469 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.84 151.44 71.11 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.752 2.301 . . . . 0.0 112.107 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.32 25.76 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.414 ' OE2' ' OE2' ' A' ' 99' ' ' GLU . 64.0 tt0 -149.09 156.38 42.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -137.91 120.23 15.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 75.5 mm-40 -112.95 160.75 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.2 mtp -84.38 154.82 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -116.89 -103.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.744 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -128.41 157.16 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -134.37 -177.31 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.562 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 96.69 -155.42 20.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -96.75 139.99 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.447 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.51 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.8 t -111.88 132.4 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' GLY . 4.3 t30 -137.39 121.38 17.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.6 98.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.51 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.2 p90 -145.92 156.71 43.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 110.816 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -115.74 135.51 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.344 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -113.11 134.01 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -142.34 123.08 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 113' ' ' MET . 4.2 mpp? -128.61 172.51 11.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 110.955 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.9 t70 -161.34 170.99 19.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -122.47 89.03 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.679 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 60' ' ' HIS . 9.2 mt -90.12 151.86 45.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.594 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.7 142.26 47.69 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.095 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' A' ' 122' ' ' TYR . 56.4 mt -50.05 105.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.428 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.1 m -67.43 167.05 13.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -51.48 -28.25 12.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.47 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.23 -33.7 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.523 ' CE2' HD13 ' A' ' 118' ' ' LEU . 55.6 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 27.3 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.722 0.296 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.27 -59.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.136 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.0 m120 -70.8 -26.6 63.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.51 178.13 35.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 28.8 mmm-85 -98.21 148.02 33.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.531 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 14' ' ' TYR . 41.9 Cg_endo -70.25 143.07 47.4 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.805 2.337 . . . . 0.0 112.2 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 p -77.16 -9.6 58.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -117.3 140.04 50.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -137.65 127.65 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.56 -105.06 2.87 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -147.54 -57.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.596 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -95.04 127.4 41.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.68 135.84 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -146.86 140.17 25.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -89.2 136.56 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.94 -59.53 2.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -79.98 125.56 29.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.87 -30.6 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 18.1 tptm -66.18 150.59 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 m-20 57.79 -174.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -51.17 -35.68 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.23 -20.1 0.55 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.5 mt 61.06 -76.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.592 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.2 tp -103.64 126.69 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.31 120.82 42.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' THR . 59.0 ttp180 -76.67 122.52 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.1 mt -107.66 129.67 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -133.58 130.63 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.59 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.569 ' O ' ' N ' ' A' ' 46' ' ' LYS . 54.0 t30 -112.69 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -52.77 -30.2 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HE2' HD22 ' A' ' 42' ' ' ASN . 33.6 ttpt -50.89 -57.0 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.653 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -109.2 -2.59 17.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.658 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER 55.76 34.8 24.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -96.92 122.7 40.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.0 m0 -83.66 143.05 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.63 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.451 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.446 ' CD1' HD21 ' A' ' 37' ' ' LEU . 70.1 m-85 -130.34 139.25 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.584 ' O ' HD12 ' A' ' 37' ' ' LEU . 33.8 t80 -121.73 119.12 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.414 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 58.2 t-20 -81.3 134.68 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.517 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 8.7 p-10 -112.9 -41.62 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.515 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.8 111.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 118' ' ' LEU . 70.9 p -81.26 -5.56 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.472 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.1 tt0 -95.85 -45.74 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 m-85 -114.87 153.16 30.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -92.66 150.68 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.504 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.4 119.99 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.733 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -109.07 123.13 48.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.349 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 50' ' ' TYR . 83.6 t -104.0 133.43 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.718 -178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.51 92.27 2.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.361 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.4 t -112.74 135.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.778 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.7 m -111.51 137.57 49.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.67 166.95 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 29.4 t30 -86.28 152.47 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.603 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -47.46 -43.95 24.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.7 m-20 -81.44 74.0 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 36.3 m -153.65 116.99 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -76.48 81.44 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 71' ' ' ILE . 26.4 pt -125.01 159.96 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.635 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -143.05 164.64 29.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.64 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -94.66 140.54 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.7 mt -102.55 -101.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.89 -151.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -62.47 -0.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.553 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.47 ' H ' ' C ' ' A' ' 75' ' ' GLY . 71.8 m -47.35 114.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -78.74 119.89 22.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 47.4 tp -114.29 129.97 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -153.28 154.88 35.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -107.15 150.14 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.419 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 8.2 mm100 -101.23 179.07 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.13 -41.44 63.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.534 ' ND2' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -58.27 -25.68 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.35 54.96 0.82 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 9.7 mp0 -137.42 150.41 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.646 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -103.49 134.18 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.481 ' O ' HD12 ' A' ' 79' ' ' LEU . 83.5 t -118.97 139.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.543 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.27 106.31 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 p -119.17 145.82 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.9 146.67 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.5 t -105.53 135.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.71 133.03 65.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -89.18 149.13 42.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.413 ' HG3' ' O ' ' A' ' 54' ' ' THR . 75.3 Cg_exo -41.5 -73.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.693 2.262 . . . . 0.0 112.135 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.47 47.5 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 98' ' ' THR . 2.0 tm-20 -158.41 146.98 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.572 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.489 ' N ' ' CD ' ' A' ' 97' ' ' GLU . 4.6 m -131.04 133.58 45.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -127.92 156.8 42.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 91.1 mmm -83.49 145.81 28.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.68 -104.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.749 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -128.07 161.49 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.549 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.6 pp20? -134.78 -178.68 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.86 -159.23 19.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -95.28 143.43 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.45 136.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.6 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -137.76 122.42 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.348 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.75 95.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.5 156.06 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -105.96 126.36 52.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -111.56 134.77 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.55 121.75 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.236 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -128.46 164.8 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.992 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.8 t70 -156.24 169.32 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.306 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.18 97.48 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.739 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.74 151.93 37.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.66 155.79 9.87 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.808 2.339 . . . . 0.0 112.15 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 55' ' ' THR . 22.0 mt -83.98 114.64 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 m -68.43 168.24 13.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.545 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -56.36 -26.79 53.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.64 -35.79 73.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 35.0 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 179.703 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.716 0.293 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.94 -53.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.633 -178.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 68.0 m-80 -80.77 2.33 26.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.41 169.14 12.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.79 136.52 21.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.516 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -46.66 147.41 4.5 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.834 2.356 . . . . 0.0 112.248 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -79.35 -5.38 54.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -127.39 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -131.94 129.03 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.79 -114.95 3.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -134.86 -60.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -89.82 128.17 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.98 132.97 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -147.11 171.72 14.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.515 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 114.24 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.39 -72.75 0.34 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.78 -152.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.595 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.88 17.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASP . 63.8 mttm -108.92 171.45 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.482 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' LYS . 75.5 m-20 41.29 -164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -57.08 -31.04 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.595 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.37 -23.43 0.58 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt 59.79 -76.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.636 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 50' ' ' TYR . 14.0 tp -107.54 129.15 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -108.94 140.25 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.522 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.66 ' NH1' ' CZ ' ' A' ' 50' ' ' TYR . 4.7 tpm_? -92.18 104.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 mt -98.8 127.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.42 128.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 46' ' ' LYS . 60.0 t30 -107.44 103.03 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -52.95 -30.85 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.659 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -97.48 -3.06 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.633 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.3 mmtm 57.2 35.95 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.71 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -97.04 126.25 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -86.48 140.63 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.601 ' N ' ' NH2' ' A' ' 39' ' ' ARG . . . -140.6 149.73 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.66 ' CZ ' ' NH1' ' A' ' 39' ' ' ARG . 38.7 m-85 -122.93 140.05 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.759 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -128.59 120.06 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.599 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 25.0 t-20 -83.32 115.43 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.731 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 63.9 t0 -78.68 -39.07 37.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.44 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 49.8 p -59.3 165.1 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 p -125.38 5.84 7.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -140.62 3.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.88 129.47 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.684 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 8.2 pt-20 -92.85 131.81 37.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.599 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -92.41 119.94 32.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 -179.042 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.462 ' ND1' HG22 ' A' ' 92' ' ' VAL . 35.8 m-70 -101.96 109.93 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.444 HG21 ' CD2' ' A' ' 50' ' ' TYR . 62.2 t -87.99 133.31 30.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.775 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.31 91.74 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.297 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -113.34 137.05 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.793 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.6 m -114.8 134.04 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.302 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.2 m-85 -117.74 160.34 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.735 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.504 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 31.6 t30 -78.18 157.97 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.636 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -49.73 -51.35 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.5 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 55.5 t0 -75.93 76.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 33.8 m -154.02 114.48 3.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.9 t0 -75.93 81.27 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.434 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 71' ' ' ILE . 25.9 pt -124.65 157.89 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -141.77 161.02 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.653 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -90.91 141.24 29.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.475 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.1 mt -103.48 -97.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.35 -150.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.49 1.18 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.447 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.6 m -48.42 116.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.558 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -75.86 121.48 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 88' ' ' VAL . 47.1 tp -116.63 129.63 56.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -152.98 151.9 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.4 HE21 ' HA2' ' A' ' 85' ' ' GLY . 63.5 tt0 -108.64 151.43 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -106.21 168.01 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.61 -37.64 87.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -59.54 -25.04 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.4 ' HA2' HE21 ' A' ' 81' ' ' GLN . . . 99.08 54.14 1.13 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 65' ' ' PHE . 81.0 mm-40 -136.38 140.52 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.491 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -97.97 129.34 44.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.474 ' O ' HD12 ' A' ' 79' ' ' LEU . 82.7 t -115.02 135.16 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.73 103.66 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.4 p -118.53 143.91 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.72 141.71 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.462 HG22 ' ND1' ' A' ' 60' ' ' HIS . 48.6 t -101.34 132.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.99 133.47 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.496 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -92.67 151.88 41.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.61 148.4 93.1 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.793 2.329 . . . . 0.0 112.057 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 t 65.32 22.78 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -147.43 136.37 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.534 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 m -116.09 121.02 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -115.1 161.31 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.0 mmm -85.09 154.61 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.571 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -113.16 -102.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.75 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -129.35 159.38 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.518 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.7 pp20? -132.48 -178.67 5.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.42 -159.53 19.86 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 ttm-85 -94.37 142.32 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.466 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.56 136.7 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.717 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -139.56 121.66 15.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.319 179.766 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.21 98.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -132.94 161.87 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -105.43 122.02 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.347 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 p -100.73 118.61 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -129.67 116.63 19.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.216 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.408 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -132.28 170.3 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.994 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -157.64 173.31 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.08 88.24 2.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.775 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.424 HD12 ' CE1' ' A' ' 60' ' ' HIS . 4.0 mt -95.66 155.08 38.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.447 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.44 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 70.3 Cg_endo -77.1 141.2 20.64 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.758 2.305 . . . . 0.0 112.146 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 122' ' ' TYR . 27.2 mt -42.03 104.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.421 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.0 m -66.55 170.84 5.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.579 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -53.23 -29.69 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.53 -35.03 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.404 ' CE2' HD13 ' A' ' 118' ' ' LEU . 73.6 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.431 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.708 0.289 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.75 -57.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.621 -179.68 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.512 ' N ' HG22 ' A' ' 15' ' ' VAL . 32.9 m120 -65.26 -27.38 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.657 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.07 170.43 31.93 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -95.97 150.85 37.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.07 137.17 19.12 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.8 2.333 . . . . 0.0 112.232 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.43 HG22 ' OG1' ' A' ' 98' ' ' THR . 9.5 t -80.58 0.34 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -129.51 134.97 48.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.68 125.57 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.31 -108.6 3.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -146.77 -58.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -89.94 105.97 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -105.8 142.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.85 171.49 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.494 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -133.94 104.39 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -40.7 -69.6 0.47 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -82.69 117.45 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.61 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.35 -30.77 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -58.71 159.0 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 55.15 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -53.75 -33.1 54.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.85 -25.3 0.56 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 20.2 mt 60.72 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.684 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 35' ' ' GLY . 49.2 tp -110.09 125.35 52.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -110.49 126.56 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.458 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -90.58 115.47 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.672 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -106.83 133.41 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 48' ' ' TRP . 39.7 t -134.31 128.17 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.639 ' O ' ' N ' ' A' ' 46' ' ' LYS . 61.4 t30 -108.79 100.22 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -54.44 -31.8 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.662 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -55.86 -50.87 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.639 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -106.97 -3.11 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.608 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.639 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.02 26.14 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.694 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -99.13 129.97 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CD1' HG13 ' A' ' 41' ' ' VAL . 28.4 m0 -87.21 151.17 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.3 147.56 29.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -125.4 141.0 52.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.718 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -124.1 115.92 21.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.464 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -87.19 131.61 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 54' ' ' THR . 2.6 p30 -107.68 -35.5 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.404 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.12 118.12 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.3 p -90.51 0.49 57.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 64.1 tt0 -104.45 -44.78 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.447 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.39 151.89 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 -179.484 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.22 147.63 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.46 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.65 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 122.71 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -109.89 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.7 132.99 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -142.53 93.41 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.33 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.18 133.45 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.782 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -111.89 135.18 52.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -118.66 164.9 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.499 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.0 t30 -82.76 155.7 24.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.46 -47.58 38.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.88 72.47 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.499 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 33.9 m -154.31 114.36 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.91 82.03 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.3 pt -131.25 159.19 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HZ1' ' CD ' ' A' ' 103' ' ' GLU . 25.1 pttm -142.35 -170.6 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -112.47 140.39 47.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.3 mt -99.93 -100.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.16 -144.38 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.36 -5.0 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.0 m -45.6 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -83.05 122.12 27.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 46.3 tp -114.99 130.13 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -152.19 152.64 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.92 151.35 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -100.96 173.4 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.31 -33.66 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -64.27 -25.55 68.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.561 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.17 56.69 0.78 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -141.67 152.39 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -105.49 138.95 40.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 93.5 t -127.47 136.7 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.09 107.53 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.6 p -116.95 144.91 44.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.1 p -161.85 150.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.469 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.26 134.45 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.35 126.09 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.453 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -85.2 159.55 56.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.25 154.57 73.65 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.779 2.319 . . . . 0.0 112.126 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m 58.83 15.76 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.468 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -136.12 152.62 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' HG22 ' A' ' 20' ' ' THR . 3.1 m -130.33 136.23 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -132.75 158.73 41.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.0 mmm -83.62 152.05 25.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.2 t80 -111.29 -100.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.4 pp -126.5 163.46 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' CD ' ' HZ1' ' A' ' 72' ' ' LYS . 83.4 tt0 -142.98 153.14 42.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.35 -156.88 20.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -95.46 138.07 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.18 136.09 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.783 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -149.6 117.48 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.335 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.1 97.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -146.88 161.85 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -114.89 128.51 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.263 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.3 m -111.76 133.27 54.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -139.32 123.73 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.264 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -130.3 169.43 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.992 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.9 t0 -158.41 171.89 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.304 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -123.84 87.53 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.705 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.71 150.25 53.05 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.7 146.34 48.5 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.872 2.381 . . . . 0.0 112.065 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 122' ' ' TYR . 14.2 mt -67.51 139.37 56.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.459 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.6 t -123.16 -161.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.597 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.2 -32.64 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.71 -39.86 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.415 ' CG ' HD22 ' A' ' 118' ' ' LEU . 24.6 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.773 0.32 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.62 -58.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.569 ' N ' HG22 ' A' ' 15' ' ' VAL . 27.9 m120 -63.92 -28.81 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.629 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.76 171.95 31.63 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -94.3 149.93 37.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.0 138.61 18.52 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.864 2.376 . . . . 0.0 112.2 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -77.7 -13.69 59.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' HZ ' HE21 ' A' ' 47' ' ' GLN . 74.3 t80 -114.92 130.51 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.49 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.57 123.6 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.25 -105.39 2.96 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -148.33 -54.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.553 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -95.2 126.95 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.596 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -118.97 137.09 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.47 135.58 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' CD ' ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -86.57 110.76 20.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.499 -179.749 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.3 -51.15 49.07 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -89.22 131.02 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.585 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.8 16.09 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -117.13 148.89 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 35' ' ' GLY . 60.7 m-20 59.51 -159.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.519 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.516 ' C ' ' H ' ' A' ' 36' ' ' LEU . 22.4 m120 -72.08 36.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 72.33 -22.35 0.82 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 34' ' ' ASN . 26.3 mt 60.36 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.569 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.1 tp -104.11 134.59 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -112.23 123.7 50.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -81.12 107.8 14.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.576 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.96 132.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.507 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.85 127.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -105.81 103.48 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.589 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -54.39 -33.48 59.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.688 ' HZ2' ' HG2' ' A' ' 45' ' ' LYS . 21.5 ttpp -45.32 -65.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HG2' ' HZ2' ' A' ' 44' ' ' LYS . 42.4 mmtm -102.48 -1.84 29.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER 55.97 36.78 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.669 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.505 HE21 ' HZ ' ' A' ' 21' ' ' PHE . 13.5 pt20 -98.08 125.94 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -83.28 144.66 29.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.11 152.54 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.405 ' CD1' HD21 ' A' ' 37' ' ' LEU . 75.1 m-85 -129.5 139.06 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.757 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -124.23 113.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.468 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 61.0 t-20 -79.82 135.09 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 54' ' ' THR . 22.0 p-10 -109.72 -43.09 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.528 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 16.9 p -57.4 128.96 39.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.9 p -98.89 11.33 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -118.81 -35.22 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.681 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 5.7 m-85 -116.41 144.84 43.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.705 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -92.44 145.45 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.83 119.28 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.06 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 116' ' ' LEU . 50.5 m-70 -107.58 121.14 44.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.335 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.1 t -101.99 133.76 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.1 tp -142.81 91.54 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 130.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.6 m -109.02 136.18 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.16 160.85 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.763 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.9 t30 -82.38 155.39 24.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -48.09 -43.05 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.5 m-20 -78.35 69.86 4.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.513 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.2 m -153.7 115.67 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -78.77 80.08 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.9 pt -127.55 160.86 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.29 -169.76 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -112.25 141.61 45.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.9 mt -102.69 -99.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.65 -141.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -71.97 -6.57 42.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -44.63 116.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -80.09 122.67 27.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 41.4 tp -114.03 129.51 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -151.46 153.3 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -108.48 151.64 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -103.67 168.53 9.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.481 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.53 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -59.21 -25.59 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.83 55.16 0.89 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -141.62 149.65 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.579 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -102.32 138.38 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 88.2 t -124.22 136.35 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.45 105.71 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.2 p -117.69 146.04 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.621 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.86 146.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.52 135.78 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.656 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 t -116.38 129.0 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.457 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -91.32 155.31 44.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -61.61 155.72 51.73 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.28 . . . . 0.0 112.043 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.9 t 59.95 9.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.06 148.56 52.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -128.9 138.19 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -134.93 156.52 48.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.7 mtp -83.62 154.31 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.653 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -109.38 -100.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -133.81 161.41 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.3 pt-20 -137.08 -178.02 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.614 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 -157.46 18.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -95.59 135.59 37.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 0.0 110.425 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.17 129.8 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.457 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 5.6 t30 -134.79 121.1 20.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.321 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.66 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -140.1 163.93 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -127.6 127.36 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.391 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -103.96 135.28 45.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -139.92 122.1 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.217 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -128.23 168.31 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 111.018 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -155.5 173.1 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.298 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.39 88.83 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 60' ' ' HIS . 9.8 mt -90.25 150.3 42.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.97 142.63 31.62 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.834 2.356 . . . . 0.0 112.136 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.91 109.92 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.9 m -80.74 -175.35 5.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.46 -26.59 65.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.413 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.53 -39.32 79.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.468 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.389 179.716 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.738 0.304 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -129.02 -55.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.621 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.478 ' N ' HG22 ' A' ' 15' ' ' VAL . 32.3 m120 -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.632 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.21 175.39 25.38 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -86.14 154.59 57.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.59 143.59 63.1 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.859 2.373 . . . . 0.0 112.204 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 m -72.96 -25.37 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -106.58 134.7 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.33 132.73 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.08 -109.57 2.25 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -148.43 -60.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.562 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -92.83 128.01 38.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.08 134.12 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -141.83 134.85 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -77.81 135.07 37.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.61 -59.28 2.39 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -84.7 126.22 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.602 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.2 -20.25 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -73.0 154.94 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 52.61 -170.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -52.86 -36.5 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 162.2 -21.9 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 30.4 mt 60.57 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.566 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.0 tp -104.94 130.44 53.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.46 122.78 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.495 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' THR . 66.1 ttp85 -78.43 107.97 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -97.11 131.93 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.6 129.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.6 t-20 -106.07 101.63 11.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -52.42 -33.55 44.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HZ2' ' HB3' ' A' ' 44' ' ' LYS . 17.2 mtpp -49.41 -70.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 92.9 mttt -92.89 -4.86 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 56.62 38.04 29.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.71 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -100.34 124.17 45.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.478 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.417 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 29.9 m0 -81.27 146.77 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.13 29.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.492 ' CD2' HG21 ' A' ' 61' ' ' VAL . 75.2 m-85 -124.44 136.64 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.592 ' O ' HD12 ' A' ' 37' ' ' LEU . 27.3 t80 -122.69 123.2 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -91.73 125.57 36.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.743 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 54' ' ' THR . 29.5 p-10 -99.4 -35.88 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.527 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -58.23 122.83 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.3 p -96.12 12.86 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -124.32 -14.48 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.603 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.412 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 2.7 m-85 -139.89 142.96 36.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.653 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 11.7 pm0 -92.01 147.38 23.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.614 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.07 120.3 35.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.746 -179.551 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.445 ' NE2' HD12 ' A' ' 116' ' ' LEU . 24.1 m-70 -101.98 123.09 45.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.339 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 50' ' ' TYR . 55.2 t -102.81 126.42 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.795 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.6 tp -141.48 91.3 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.307 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -113.05 132.06 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.1 m -109.91 133.26 53.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.377 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -117.46 160.17 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.4 t30 -81.76 156.53 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -47.56 -42.73 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.454 ' C ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -78.6 69.64 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.85 112.39 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.623 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -80.0 77.9 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.3 pt -117.36 155.9 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 103' ' ' GLU . 30.5 ttpt -126.17 166.94 16.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.648 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -104.16 136.67 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -114.35 173.09 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.6 -137.46 1.78 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.08 -3.12 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.524 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.2 m -46.0 120.91 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.74 128.05 34.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 51.1 tp -120.85 130.09 53.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -152.07 153.24 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.515 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -106.92 152.28 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -106.12 168.33 9.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -64.07 -36.99 85.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -59.01 -24.84 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.39 53.59 1.14 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -139.32 151.5 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -103.27 143.39 32.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.476 ' O ' HD12 ' A' ' 79' ' ' LEU . 91.5 t -129.87 131.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.94 107.73 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -120.33 143.57 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.55 138.79 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.407 HG22 ' ND1' ' A' ' 60' ' ' HIS . 66.1 t -97.8 136.11 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.2 t -117.59 130.2 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -90.2 157.15 45.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.47 153.92 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.704 2.269 . . . . 0.0 112.124 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m 58.98 16.42 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -137.84 143.7 41.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.551 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 m -127.42 125.71 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -120.25 164.07 16.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.2 mmm -85.38 154.62 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.641 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -114.91 -103.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.724 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.14 157.47 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 72' ' ' LYS . 83.5 tt0 -135.7 156.08 49.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.33 -160.38 14.32 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -91.29 139.83 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.381 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.2 t -113.35 132.15 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.751 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' GLY . 3.4 t30 -138.76 121.04 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.89 98.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 106' ' ' VAL . 26.5 p90 -146.2 157.14 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.746 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 133.59 55.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.342 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 m -112.02 133.78 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -138.09 121.46 17.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.237 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.7 mtm -130.84 160.98 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.969 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -155.28 170.27 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.29 92.73 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.764 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.445 HD12 ' NE2' ' A' ' 60' ' ' HIS . 21.6 mt -88.81 165.86 25.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.468 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 4.0 Cg_exo -82.48 132.52 6.87 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.915 2.41 . . . . 0.0 112.17 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 mt -54.54 111.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.437 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -83.8 -174.49 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -57.05 -30.42 64.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.44 -38.15 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 34.1 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.393 179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 87.0 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.09 -57.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.6 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.513 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.1 m120 -69.34 -26.13 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.62 -178.66 32.96 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.6 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 25.5 mmm-85 -105.06 139.78 20.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.514 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -47.07 145.45 7.41 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.827 2.351 . . . . 0.0 112.206 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.2 m -75.79 -32.29 59.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -91.58 138.61 31.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 158.79 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.53 -129.01 1.12 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -144.88 -66.58 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -88.09 127.63 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -122.79 131.55 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.81 143.5 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -83.77 135.16 34.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.68 -58.52 3.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -86.76 134.54 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.62 -4.83 57.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -102.65 160.42 14.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.474 ' CB ' HD21 ' A' ' 36' ' ' LEU . 79.7 m-20 57.01 -162.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.482 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 36' ' ' LEU . 56.2 t-20 -78.68 43.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.561 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.25 -28.24 0.82 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 34' ' ' ASN . 29.0 mt 61.65 -77.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.8 tp -103.88 131.22 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -109.4 128.88 55.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -82.71 111.56 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.61 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -97.14 128.04 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.506 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.61 129.44 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.598 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.82 101.66 10.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -55.19 -31.46 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.74 -65.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -91.88 -5.82 52.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.28 39.39 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -108.91 126.91 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.484 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 35.4 m0 -84.32 148.21 26.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.39 150.16 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' CD1' HD21 ' A' ' 37' ' ' LEU . 58.9 m-85 -128.02 140.32 52.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.724 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . 25.9 t80 -126.46 123.83 38.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.449 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -87.06 114.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD2' ' OD1' ' A' ' 16' ' ' ASN . 21.9 t70 -86.72 -36.2 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.8 p -62.14 133.36 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.559 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 p -103.42 8.03 38.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.564 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -111.34 -42.26 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.2 149.67 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.4 pt-20 -92.05 148.46 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.459 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.22 121.32 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.716 -179.228 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.406 ' CE1' HD12 ' A' ' 116' ' ' LEU . 41.4 m-70 -110.71 118.15 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.363 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.58 133.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.78 91.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.347 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.45 132.37 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -109.93 132.3 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.418 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -115.76 159.77 20.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.693 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 9.1 t-20 -79.06 157.03 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -49.49 -50.9 39.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.556 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 53.9 p30 -73.22 72.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.566 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 31.5 m -153.84 114.86 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.618 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.1 t0 -75.18 82.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.466 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.3 pt -127.47 161.02 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 9.6 ttpp -148.25 160.21 43.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -86.35 153.61 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 103' ' ' GLU . 96.6 mt -112.64 -104.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 77' ' ' THR . . . -109.48 135.14 12.67 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -178.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 66.31 -55.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 110.488 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' GLY . 92.0 m -46.93 121.76 3.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -93.83 127.58 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 60.4 tp -110.19 132.35 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -150.77 146.3 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.49 152.63 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -107.54 169.54 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -58.53 -25.15 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.631 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.42 53.97 1.11 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -137.6 144.24 41.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.588 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -99.57 137.8 37.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.2 t -123.83 132.76 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.95 107.87 5.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.474 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -118.31 145.42 45.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -161.17 138.54 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.62 132.0 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.8 t -113.52 133.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.478 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -95.5 153.01 39.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.47 154.46 24.47 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.784 2.323 . . . . 0.0 112.064 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m 54.65 21.31 3.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -138.74 155.26 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -138.96 120.23 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -113.21 165.78 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.408 ' HB2' ' H ' ' A' ' 75' ' ' GLY . 86.7 mmm -86.59 148.53 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -110.38 -103.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -129.72 162.56 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.551 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.509 ' CD ' HD21 ' A' ' 74' ' ' LEU . 22.2 pt-20 -134.94 -178.72 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.17 -160.65 20.71 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 70' ' ' ASP . 73.2 ttt-85 -95.15 142.39 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.431 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.484 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.2 t -124.27 135.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -148.41 117.58 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.3 p90 -152.93 155.36 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -105.43 133.2 50.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.292 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.2 m -114.06 135.61 53.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -136.97 116.85 13.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.224 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -125.42 162.56 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.017 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 38.1 t0 -158.27 171.57 19.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.299 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.05 88.8 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.406 HD12 ' CE1' ' A' ' 60' ' ' HIS . 13.7 mt -86.55 161.89 46.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.451 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 12.6 Cg_exo -70.94 152.92 63.64 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.811 2.341 . . . . 0.0 112.162 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 mt -79.69 109.85 14.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.516 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.1 m -74.67 176.36 7.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -55.02 -30.65 59.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -54.68 -38.11 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.719 0.295 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.93 -58.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.614 -179.142 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.9 m120 -64.3 -26.84 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.634 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 166.62 158.47 11.22 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.606 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -89.94 154.2 47.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.505 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -76.69 132.58 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.836 2.357 . . . . 0.0 112.222 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -67.59 -30.75 70.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.515 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.481 ' O ' HD13 ' A' ' 40' ' ' ILE . 65.9 t80 -105.66 130.93 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.45 126.72 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA2' HD22 ' A' ' 42' ' ' ASN . . . -106.77 -111.85 3.62 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -142.85 -59.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.305 . . . . 0.0 110.641 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -84.92 110.11 18.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -110.76 145.81 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.619 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.37 171.61 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -127.52 101.65 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.05 -68.66 0.6 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -74.75 129.48 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.581 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -86.07 7.21 25.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -104.68 157.78 16.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 57.0 -171.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 34' ' ' ASN . 2.4 m120 -50.79 -32.94 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.63 -23.92 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 22.4 mt 61.38 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.592 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' GLY . 58.7 tp -108.16 126.73 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -112.37 126.04 54.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -87.63 126.34 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' PHE . 19.2 mt -114.84 128.21 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.46 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 48' ' ' TRP . 44.2 t -131.13 127.99 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -106.97 102.8 12.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.8 -29.9 55.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -69.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -90.62 -4.22 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 55.35 34.68 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -103.14 126.59 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.3 m0 -83.98 145.58 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.6 152.73 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.97 143.22 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.784 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 17' ' ' GLY . 64.5 t80 -125.76 128.71 48.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.592 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 20.3 t-20 -95.44 139.01 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.624 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 54' ' ' THR . 28.1 p-10 -113.44 -40.58 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.576 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.28 117.47 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.471 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 43.3 p -90.73 7.87 37.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -120.61 -19.86 7.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.64 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -134.26 141.52 47.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.649 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.597 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.5 pm0 -91.63 145.73 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.46 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.592 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -95.98 116.92 29.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.531 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.478 ' CE1' HD12 ' A' ' 116' ' ' LEU . 22.0 m-70 -95.03 126.55 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.375 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.61 129.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.778 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.7 tp -142.55 91.76 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.331 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.18 134.5 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.0 m -110.86 138.27 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.394 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.97 166.33 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.702 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 9.0 t-20 -84.34 156.71 21.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -49.23 -51.71 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 48.0 p30 -74.81 74.98 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 35.4 m -153.55 114.45 4.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.88 80.7 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -123.45 153.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 72' ' ' LYS . 14.3 mtpp -130.03 175.25 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.666 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -109.23 135.67 49.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.497 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' GLY . 75.5 mt -101.36 -98.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.17 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -63.3 2.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 75' ' ' GLY . 97.8 m -49.93 116.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -77.78 120.43 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 88' ' ' VAL . 44.4 tp -115.21 130.58 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -155.43 156.85 36.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.33 151.27 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -104.05 168.36 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.12 -35.25 80.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -60.9 -25.46 66.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.99 56.62 0.88 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -143.97 150.03 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.66 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -103.87 136.5 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.472 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.9 t -122.4 139.67 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.5 103.22 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.0 p -114.69 144.07 44.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.75 143.25 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.481 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.431 HG22 ' ND1' ' A' ' 60' ' ' HIS . 59.3 t -99.5 135.53 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -112.96 130.32 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -94.63 151.01 38.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.31 149.71 89.74 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.792 2.328 . . . . 0.0 112.184 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 t 63.6 20.06 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -146.56 134.08 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.528 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 m -111.93 135.15 52.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -128.5 157.49 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.3 mtp -82.66 154.41 24.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.5 -101.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.738 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -131.53 160.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.5 pt-20 -133.81 -177.62 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.81 -157.98 20.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.95 146.91 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 110.439 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -132.96 137.64 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.6 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -139.71 122.38 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.328 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.5 97.96 0.01 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -138.54 157.76 45.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' H ' ' HD2' ' A' ' 110' ' ' LYS . 2.4 mptp? -108.17 130.42 55.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.357 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 m -114.44 132.54 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -137.43 126.24 24.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.211 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.415 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -135.33 166.4 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 7.2 t70 -156.33 169.9 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -120.98 93.33 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.748 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' A' ' 60' ' ' HIS . 7.6 mt -91.96 151.49 42.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.472 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 132.95 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.861 2.374 . . . . 0.0 112.158 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.48 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.6 mt -51.65 114.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.402 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.7 m -83.65 -171.54 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.55 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.96 -31.74 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -54.98 -41.02 70.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.51 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 62.6 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.639 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD ' ' A' ' 19' ' ' PRO . 52.1 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.762 0.315 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.519 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.53 -57.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.615 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.5 m120 -67.24 -27.29 67.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.95 171.41 30.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -92.76 148.87 36.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.562 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CE2' ' A' ' 14' ' ' TYR . 52.1 Cg_endo -71.23 137.69 31.74 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.821 2.347 . . . . 0.0 112.243 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -75.07 -10.81 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -120.61 137.71 54.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.92 126.11 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 -105.17 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -146.42 -57.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -94.95 128.14 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -122.16 135.39 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.14 131.72 30.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -85.76 118.65 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -79.65 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -83.24 122.02 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.603 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.18 -28.83 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -63.87 156.45 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.466 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.468 ' CB ' HD21 ' A' ' 36' ' ' LEU . 44.1 m-20 60.97 -159.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -82.03 20.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 99.39 -21.55 44.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 33' ' ' ASP . 27.5 mt 60.24 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 110.598 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.1 tp -112.22 133.68 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.626 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -104.72 127.69 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -85.56 97.87 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -87.8 131.19 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.506 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 48' ' ' TRP . 46.4 t -135.91 126.11 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 12.5 t-20 -104.81 100.74 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -54.14 -29.54 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.79 -70.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.4 mttp -90.8 -4.19 56.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 56.28 32.89 21.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -100.09 124.16 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.44 ' CD1' HG13 ' A' ' 41' ' ' VAL . 40.2 m0 -84.74 145.43 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.77 151.02 39.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.421 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 37' ' ' LEU . 62.0 m-85 -127.56 138.5 52.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.732 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' O ' HD12 ' A' ' 37' ' ' LEU . 36.8 t80 -121.59 120.3 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -87.81 132.59 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 54' ' ' THR . 25.5 p-10 -109.31 -38.18 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.4 p -57.55 123.57 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.519 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 72.7 p -96.95 9.69 41.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.676 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.519 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -123.11 -15.31 7.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.83 146.43 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.14 146.46 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.36 118.33 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 -179.462 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 116' ' ' LEU . 50.5 m-70 -106.26 121.03 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.329 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.6 t -104.85 133.11 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.791 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 tp -142.57 92.07 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.33 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 134.56 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.2 m -112.51 135.47 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -118.87 163.82 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.683 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.9 t30 -80.9 155.75 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.587 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -49.34 -46.21 46.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.47 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-20 -77.69 72.25 4.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.3 114.66 4.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -75.59 81.8 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.14 161.83 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 -173.22 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -113.11 137.27 51.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 75' ' ' GLY . 71.2 mt -99.99 -97.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.52 -148.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -69.46 0.75 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 110.485 -179.672 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.2 m -49.16 119.18 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -80.99 121.85 26.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 53.4 tp -116.25 129.48 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -152.06 152.91 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.414 HE21 ' HA2' ' A' ' 85' ' ' GLY . 63.3 tt0 -108.25 150.97 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -106.02 167.0 10.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.82 -36.67 81.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -61.43 -25.31 67.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.414 ' HA2' HE21 ' A' ' 81' ' ' GLN . . . 98.85 54.39 1.13 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 65' ' ' PHE . 80.7 mm-40 -135.63 141.58 45.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 110.673 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -98.32 131.96 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.475 ' O ' HD12 ' A' ' 79' ' ' LEU . 86.6 t -119.77 133.89 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.44 104.29 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -116.47 144.57 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.4 142.01 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.54 133.56 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.94 129.92 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.39 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -90.8 157.58 43.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.497 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.82 154.14 75.15 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.718 2.279 . . . . 0.0 112.066 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.2 m 60.0 17.33 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -143.23 145.92 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.494 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -124.77 138.85 54.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -132.57 158.32 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.683 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.7 mtp -83.26 154.56 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.56 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.93 -101.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -128.14 159.7 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.4 tt0 -138.38 153.23 48.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 127.3 -160.09 21.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -92.76 137.12 32.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.44 136.48 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.736 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.8 OUTLIER -140.01 121.75 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.263 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.56 97.88 0.01 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -137.18 155.63 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.695 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -106.4 125.14 50.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.362 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -109.21 136.93 47.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -136.61 118.17 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 79.0 mtm -125.03 171.09 10.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.6 t0 -166.59 172.62 10.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.35 87.44 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.715 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 60' ' ' HIS . 10.7 mt -86.46 150.66 51.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.09 149.51 58.55 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.794 2.329 . . . . 0.0 112.161 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.98 119.7 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.386 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.7 m -86.67 -177.38 6.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.48 -26.02 64.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.75 -41.72 87.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.486 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.441 179.579 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.735 0.302 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.83 -57.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.7 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.517 ' N ' HG22 ' A' ' 15' ' ' VAL . 29.6 m120 -71.12 -24.57 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.645 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.51 170.73 24.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -100.35 133.25 21.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -46.73 147.47 4.56 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.773 2.316 . . . . 0.0 112.235 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -78.69 -7.47 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -122.62 136.15 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.83 127.62 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.505 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.28 3.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -146.34 -58.3 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.377 . . . . 0.0 110.644 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -94.46 129.47 41.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -118.49 137.66 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -144.26 133.39 22.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.681 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -89.21 138.42 31.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.42 -71.95 1.14 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -74.92 136.16 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.612 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -93.49 55.51 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -144.99 144.89 31.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.2 t0 62.99 -138.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.505 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 80.8 m-20 -86.57 10.03 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.83 -23.26 32.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt 60.47 -75.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.642 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 61.1 tp -100.81 131.1 46.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.06 131.69 55.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.476 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 27' ' ' THR . 57.7 ttp180 -89.84 103.34 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -91.16 129.37 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.56 127.35 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 61.2 t30 -105.9 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -54.61 -32.21 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.82 -70.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -94.56 -3.82 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 58.34 32.82 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -97.27 129.99 44.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.486 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -85.42 141.31 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -138.28 144.13 40.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.357 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' HG21 ' A' ' 61' ' ' VAL . 52.1 m-85 -122.16 136.42 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.74 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -125.14 123.79 40.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -87.47 114.88 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.78 -39.22 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.497 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 p -58.73 129.19 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.8 p -102.61 17.55 23.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -128.79 -17.34 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.648 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -135.87 145.99 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.593 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.3 pm0 -91.87 136.67 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -87.98 116.82 26.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.624 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.457 ' NE2' HD12 ' A' ' 116' ' ' LEU . 25.6 m-70 -95.5 130.08 42.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.424 HG21 ' CD2' ' A' ' 50' ' ' TYR . 74.2 t -106.96 127.33 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.9 tp -143.31 92.8 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.32 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.82 133.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.6 m -108.96 138.92 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -122.18 164.2 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.734 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.9 t30 -85.89 155.43 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.62 -44.93 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 90.7 m-20 -76.99 69.73 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.489 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.8 m -153.89 112.37 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.14 81.78 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.44 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.3 pt -123.0 159.66 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 47.3 tttp -134.99 164.24 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -97.76 142.32 29.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt -119.69 166.89 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.51 -132.58 15.54 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -93.88 -7.53 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 110.533 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -44.38 124.21 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.506 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -85.88 130.02 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 43.0 tp -121.21 128.91 52.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -151.05 148.63 28.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -103.59 148.82 25.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -101.54 169.32 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -65.22 -37.65 87.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -57.54 -24.7 57.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.593 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.55 51.63 1.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -138.84 151.9 47.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.555 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -103.55 140.49 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.2 t -124.39 133.46 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.14 106.72 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.0 p -119.94 144.39 47.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -161.89 137.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.475 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.422 HG22 ' ND1' ' A' ' 60' ' ' HIS . 90.5 t -94.13 136.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.8 t -116.8 127.5 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -90.03 153.72 47.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.92 151.5 64.86 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.687 2.258 . . . . 0.0 112.123 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 32.3 m 58.41 32.73 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.442 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 99' ' ' GLU . 62.4 tt0 -149.34 155.64 40.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -138.37 118.46 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 73.3 mm-40 -115.16 163.69 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.658 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 87.5 mmm -83.78 154.41 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -117.4 -100.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -130.9 156.78 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -132.92 -177.4 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.54 -156.0 20.22 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -96.86 144.69 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.494 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.62 137.52 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.739 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -144.6 119.31 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.33 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.39 101.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -144.04 158.63 43.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.781 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.5 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -106.81 127.88 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.28 179.163 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -112.84 135.94 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -141.94 124.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.261 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -135.4 165.08 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.7 t70 -155.7 169.24 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.334 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.89 93.54 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.757 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.457 HD12 ' NE2' ' A' ' 60' ' ' HIS . 5.8 mt -90.98 151.72 43.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.483 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.471 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 134.12 17.46 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.839 2.359 . . . . 0.0 112.101 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.542 HD23 ' OE1' ' A' ' 58' ' ' GLU . 13.9 mt -54.33 121.04 7.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.0 m -95.14 -163.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -62.93 -33.13 74.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.73 -39.33 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.0 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.716 0.293 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.18 -52.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.4 ' N ' HG22 ' A' ' 15' ' ' VAL . 28.0 m120 -80.78 2.3 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.646 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.65 165.28 11.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -93.46 137.97 23.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.479 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -44.33 148.52 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -74.73 -28.18 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -94.09 141.61 28.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.55 158.19 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.71 -143.03 3.57 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -139.05 -66.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -76.84 112.68 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.622 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.35 130.87 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 t -146.48 159.47 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 44.3 pttt -97.54 134.27 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.2 -66.5 2.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -80.18 146.19 31.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.549 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -87.72 8.93 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -98.35 157.26 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 50.38 -169.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.519 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.92 -33.48 50.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.569 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 157.52 -18.42 0.37 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 33.0 mt 60.29 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.829 0.347 . . . . 0.0 110.621 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.0 tp -105.34 130.59 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -110.85 129.45 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.466 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -89.06 103.28 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.3 mt -95.37 125.81 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.65 132.44 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 30.1 t30 -110.1 102.07 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -55.51 -29.7 59.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HZ2' ' HG3' ' A' ' 45' ' ' LYS . 23.9 ttpp -53.83 -54.34 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -107.0 -2.07 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER 55.67 28.81 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -97.34 124.84 41.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.478 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -82.55 147.82 28.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.2 146.32 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.47 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.449 ' CD2' HG21 ' A' ' 61' ' ' VAL . 37.7 m-85 -124.36 139.62 53.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.749 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -127.78 128.48 45.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.3 t-20 -94.34 124.68 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 54' ' ' THR . 30.4 p-10 -96.48 -37.78 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.557 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.91 118.75 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -88.42 2.42 52.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.659 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.479 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.6 tt0 -109.18 -43.97 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -115.49 146.08 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.639 -179.607 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.618 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.9 pm0 -92.16 149.05 21.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.608 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -97.21 117.81 32.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.329 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.49 ' NE2' HD12 ' A' ' 116' ' ' LEU . 20.8 m-70 -97.33 126.65 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.359 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.449 HG21 ' CD2' ' A' ' 50' ' ' TYR . 54.8 t -102.4 130.44 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.6 tp -142.83 91.45 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.32 130.0 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -107.92 134.85 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.402 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -118.26 165.59 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.695 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 41.3 t30 -80.53 154.96 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.584 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -47.55 -49.81 25.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.7 t70 -78.33 78.81 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.9 m -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' ARG . 66.1 m-20 -77.85 81.08 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.408 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.5 ttmt -129.48 163.44 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -103.08 131.93 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 103' ' ' GLU . 19.5 mt -109.98 169.6 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.625 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.8 -137.54 1.85 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -84.98 -2.6 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.509 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -45.11 113.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.541 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -82.57 122.5 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.503 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 56.0 tp -117.18 130.47 56.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -152.9 155.04 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.497 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -105.56 151.8 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -103.96 168.03 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -65.09 -36.41 84.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -61.49 -25.64 67.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.29 59.24 0.8 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -144.47 151.95 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.334 . . . . 0.0 110.635 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -104.0 139.33 39.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.505 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 89.9 t -127.72 134.4 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.32 105.34 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.498 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -116.52 144.66 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.69 147.26 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.482 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.445 HG22 ' CE1' ' A' ' 60' ' ' HIS . 92.2 t -101.96 134.77 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.3 t -112.85 128.91 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.486 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -92.48 153.16 42.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.525 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 19.0 Cg_endo -58.73 161.17 15.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.742 2.295 . . . . 0.0 112.094 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 11.5 p 43.5 28.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -148.79 129.18 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -108.41 136.76 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.509 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -128.37 164.16 23.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.94 155.45 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -118.21 -103.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.718 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.64 155.74 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 72' ' ' LYS . 82.1 tt0 -133.78 158.14 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' N ' ' CG ' ' A' ' 103' ' ' GLU . . . 118.01 -160.41 13.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ASP . 61.8 ttt180 -92.58 141.58 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 110.426 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -124.08 136.99 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.73 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -148.84 117.87 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.05 99.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CD1' HG12 ' A' ' 106' ' ' VAL . 30.1 p90 -152.59 156.84 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.736 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -110.01 135.58 50.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.327 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -114.47 134.35 55.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -139.59 126.0 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.303 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -132.68 171.72 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -163.33 171.83 15.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.426 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.16 94.62 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.738 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.49 HD12 ' NE2' ' A' ' 60' ' ' HIS . 6.2 mt -92.19 152.1 42.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.456 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 59.0 Cg_endo -73.8 132.0 16.55 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.84 2.36 . . . . 0.0 112.134 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.431 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 15.7 mt -52.63 115.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.9 m -85.63 -171.01 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.679 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -62.49 -26.8 68.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.486 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 20.2 pt-20 -58.26 -41.64 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' N ' ' CG ' ' A' ' 121' ' ' GLU . 46.3 t80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.443 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.722 0.296 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.07 -60.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.624 -179.097 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.588 ' N ' HG22 ' A' ' 15' ' ' VAL . 23.0 m120 -64.16 -27.28 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.97 162.61 17.7 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -91.43 150.29 41.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.509 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.13 137.76 35.13 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -74.78 -4.62 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -128.67 138.93 52.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.55 127.17 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.601 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.95 -111.14 3.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -145.89 -60.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.556 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.17 116.81 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.71 135.97 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 172.27 13.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -119.45 98.4 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.51 -71.2 0.28 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -75.75 134.5 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -88.74 5.2 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 20.3 tptp -102.57 150.11 23.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 35' ' ' GLY . 73.8 m-20 58.36 -162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 36' ' ' LEU . 19.5 t-20 -71.37 40.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.583 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.32 -21.47 1.1 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 34' ' ' ASN . 46.9 mt 60.53 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.665 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.2 tp -103.46 135.43 45.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.634 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.23 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -89.66 99.92 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.2 mt -89.57 131.7 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -133.7 127.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.44 104.52 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.17 -32.43 66.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -50.18 -55.71 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 30.4 mmtp -107.12 -5.08 18.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 57.71 31.1 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.715 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -98.06 124.53 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.8 m0 -82.1 144.8 30.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.6 145.94 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.417 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.487 ' CD1' HD21 ' A' ' 37' ' ' LEU . 68.9 m-85 -122.68 138.18 54.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.716 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' HD12 ' A' ' 37' ' ' LEU . 56.8 t80 -122.5 128.94 51.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.462 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -95.7 120.29 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.632 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 54' ' ' THR . 20.3 p-10 -86.91 -37.43 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.503 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 36.1 p -57.31 165.41 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.8 p -128.69 7.02 5.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' CG ' ' CE2' ' A' ' 57' ' ' TYR . 9.3 pt20 -139.95 2.77 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 80.8 m-85 -126.18 130.8 51.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 6.6 pt-20 -91.68 133.68 35.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.496 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.24 123.74 35.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 -178.688 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.437 ' ND1' HG22 ' A' ' 92' ' ' VAL . 41.9 m-70 -109.75 118.17 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -98.86 132.2 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.75 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.0 tp -142.43 93.13 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.334 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.94 135.24 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -108.25 140.88 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.32 166.33 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.7 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.7 t30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.8 -51.62 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 86.3 m-20 -78.85 79.19 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.1 m -153.96 114.52 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.9 t0 -76.73 81.55 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -122.54 156.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 103' ' ' GLU . 15.1 ttmt -130.55 162.83 28.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -101.93 132.75 47.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.61 172.22 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.18 -138.57 1.8 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.8 5.93 47.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.51 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -49.75 121.06 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -79.97 126.48 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 49.4 tp -121.98 129.16 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -153.01 148.0 26.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -102.52 150.9 22.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -104.99 169.04 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -64.79 -38.01 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -56.93 -24.57 53.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.98 52.91 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -140.43 151.0 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.57 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -104.27 132.89 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.507 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.495 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.3 t -113.85 135.76 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.72 110.42 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.6 p -124.5 145.42 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.8 142.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.437 HG22 ' ND1' ' A' ' 60' ' ' HIS . 33.6 t -101.14 134.45 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.77 130.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.45 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.63 151.9 41.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.536 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.07 152.51 79.18 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.811 2.34 . . . . 0.0 112.038 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.6 t 61.0 28.04 17.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -156.02 156.06 33.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 m -128.29 137.76 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -128.49 158.37 38.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mmm -87.2 155.1 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.585 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 17.8 t80 -116.38 -103.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -122.07 161.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.4 tt0 -141.83 154.64 45.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.7 -156.51 16.57 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 37.6 ttm180 -96.6 141.65 29.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 110.523 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.436 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.2 t -128.18 137.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.801 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.595 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.8 OUTLIER -137.37 122.27 18.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.47 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.73 156.44 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.767 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -108.54 129.26 55.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.275 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -110.91 135.53 51.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -137.17 125.87 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.246 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -133.33 167.25 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.972 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 37.1 t0 -153.31 172.31 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.517 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.97 88.98 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.729 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 60' ' ' HIS . 2.2 mt -95.84 157.14 36.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.488 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.431 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 74.1 Cg_endo -78.19 139.79 17.13 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.899 2.399 . . . . 0.0 112.131 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 122' ' ' TYR . 29.0 mt -41.35 102.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.445 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 171.14 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.98 -30.09 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.396 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -59.39 -36.14 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.467 ' CE2' HD13 ' A' ' 118' ' ' LEU . 62.2 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.315 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.18 -51.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 -179.127 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.4 ' N ' HG22 ' A' ' 15' ' ' VAL . 26.2 m120 -80.82 0.76 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.3 160.36 10.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -95.37 144.74 28.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.56 149.95 45.67 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.778 2.319 . . . . 0.0 112.198 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -82.68 -16.96 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 80.1 t80 -111.35 147.51 34.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.784 HG22 ' H ' ' A' ' 23' ' ' GLY . 10.6 p -134.05 176.78 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.784 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -160.18 -109.55 0.25 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -150.91 -60.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.603 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -89.58 110.45 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.6 135.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -135.94 171.34 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 31' ' ' GLU . 11.9 pttp -117.06 96.18 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -38.89 -66.9 0.61 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -81.39 118.79 22.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 0.0 110.61 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 78.0 mm-40 -68.94 -31.68 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.0 158.3 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 55.06 -172.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.454 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -54.46 -35.56 63.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.52 -23.14 0.35 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt 60.78 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.339 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.5 tp -113.13 127.76 56.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -109.67 125.36 52.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.533 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -79.57 127.74 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.5 mt -113.21 129.49 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.476 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.405 HG13 ' CD1' ' A' ' 48' ' ' TRP . 38.7 t -133.42 127.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.7 t-20 -108.76 101.91 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -53.71 -31.88 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.626 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HE2' HD21 ' A' ' 42' ' ' ASN . 45.2 mtmt -52.88 -66.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.604 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 57.1 mmtt -94.44 -11.09 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 63.34 30.8 15.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 -179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.42 HE21 ' HZ ' ' A' ' 21' ' ' PHE . 17.0 pt20 -96.77 127.51 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.405 ' CD1' HG13 ' A' ' 41' ' ' VAL . 38.3 m0 -88.65 145.23 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.37 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -122.35 139.17 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.775 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.597 ' O ' HD12 ' A' ' 37' ' ' LEU . 36.3 t80 -123.64 121.18 34.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -86.06 115.43 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.668 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -88.73 -37.85 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.461 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 p -58.59 125.39 23.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.1 p -99.81 16.79 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -130.02 -15.62 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -134.3 148.59 50.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -93.22 144.01 25.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.98 125.81 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.698 -179.188 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -112.61 125.7 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.2 t -109.16 132.1 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.819 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' NZ ' ' A' ' 112' ' ' LYS . 23.3 tp -144.09 92.77 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.317 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 65' ' ' PHE . 31.1 t -112.14 132.71 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.749 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -105.2 141.08 37.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.337 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CZ ' ' CG1' ' A' ' 63' ' ' VAL . 19.4 m-85 -126.93 163.5 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.474 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.8 t30 -89.93 152.39 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.561 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -43.07 -45.46 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 61.7 t0 -68.98 81.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.2 p -164.73 138.08 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.57 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -100.55 51.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 pt -100.17 157.49 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.619 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.22 -170.33 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -111.16 139.77 46.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.2 mt -100.95 -100.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.67 -140.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.83 -3.93 25.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 110.465 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -45.28 116.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -77.89 123.16 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 57.1 tp -117.32 130.97 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -156.0 147.59 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -103.14 150.71 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.632 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -107.88 170.94 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.542 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.82 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -56.79 -24.62 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.3 44.23 2.4 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -131.01 153.19 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.336 . . . . 0.0 110.578 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -105.36 132.0 52.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.482 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.0 t -108.46 128.62 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.99 101.88 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.6 p -119.46 144.23 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.644 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -162.21 142.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.444 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.33 132.95 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 t -114.72 130.72 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -90.87 156.37 44.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.456 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.49 153.06 69.03 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.723 2.282 . . . . 0.0 112.098 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.6 m 61.46 19.65 10.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -143.45 146.89 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -126.64 125.42 41.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -118.85 155.84 30.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.4 mtp -80.85 154.29 27.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -112.98 -95.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.533 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.3 pp -133.63 163.9 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.585 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.3 tt0 -142.75 156.15 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.54 -154.98 18.75 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -96.93 135.27 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.11 136.11 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.743 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 2.6 p-10 -147.02 116.98 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.351 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 54.65 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -155.55 161.73 40.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -115.27 132.54 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.352 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -115.23 134.21 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.49 ' NZ ' HD23 ' A' ' 62' ' ' LEU . 18.0 ttpp -134.94 110.49 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 178.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -118.21 162.05 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -154.86 173.43 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.349 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.473 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.07 88.43 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.64 151.15 47.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.6 139.46 37.36 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.813 2.342 . . . . 0.0 112.138 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CE2' ' A' ' 122' ' ' TYR . 58.1 mt -45.7 98.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.48 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.0 m -65.08 169.25 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.02 -28.48 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.4 -35.56 76.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.476 ' CE2' HD13 ' A' ' 118' ' ' LEU . 56.4 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.429 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.722 0.296 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -135.46 -57.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.521 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.1 m120 -67.32 -27.61 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.79 170.32 28.54 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -89.36 149.26 42.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.48 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.28 135.92 23.39 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.808 2.339 . . . . 0.0 112.17 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 m -65.69 -32.02 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.6 138.65 42.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.16 133.84 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.52 -116.89 3.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -136.91 -61.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.586 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.63 128.01 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.72 137.82 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -133.45 171.38 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.409 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.0 95.45 5.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.41 -66.68 0.91 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -80.7 127.41 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -74.52 -18.33 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -76.7 156.64 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 53.72 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -54.03 -35.53 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.36 -19.48 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt 61.22 -78.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.65 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.9 tp -106.98 131.51 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -109.01 125.18 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -81.02 101.72 9.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -89.73 130.52 38.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 48' ' ' TRP . 57.3 t -136.08 128.36 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.597 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -105.18 102.13 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -53.27 -32.26 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.68 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -52.49 -68.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 65.1 mmtt -93.82 -6.47 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 58.65 32.85 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.2 pt20 -96.65 121.39 38.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.471 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.41 ' CD1' HG13 ' A' ' 41' ' ' VAL . 35.3 m0 -82.1 145.64 30.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.89 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.463 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CD1' HD21 ' A' ' 37' ' ' LEU . 62.1 m-85 -126.29 138.1 53.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.771 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.52 ' O ' HD12 ' A' ' 37' ' ' LEU . 35.5 t80 -120.05 116.82 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.481 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -84.92 124.22 31.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 54' ' ' THR . 16.0 p-10 -103.82 -36.54 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.524 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.5 p -60.72 115.51 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.3 p -85.68 -4.91 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.2 tt0 -100.26 -43.97 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.462 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.2 m-85 -114.49 146.72 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.624 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.7 pm0 -91.55 146.73 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.447 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.11 119.57 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.727 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.491 ' NE2' HD12 ' A' ' 116' ' ' LEU . 28.4 m-70 -103.02 123.03 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.373 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' A' ' 50' ' ' TYR . 49.4 t -103.74 127.05 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.7 tp -142.3 91.55 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.375 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -114.83 132.43 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.808 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -109.63 135.68 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.393 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.07 161.09 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.734 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.498 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.0 t30 -84.15 160.52 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.585 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.72 -45.68 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.585 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 59.5 t0 -73.11 67.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 24.3 m -154.28 107.25 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.05 78.55 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.504 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.43 162.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.22 -170.77 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -111.62 139.82 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.529 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' GLY . 94.3 mt -100.04 -97.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.601 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.99 -140.42 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -2.31 26.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.533 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -47.41 120.47 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -82.5 121.47 26.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 44.1 tp -113.84 129.66 56.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -151.97 148.07 27.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -104.51 150.14 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -103.5 169.18 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -65.05 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -56.85 -24.52 52.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.11 51.6 1.24 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -139.31 151.23 46.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.57 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -104.65 141.9 35.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.8 t -126.83 135.4 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.596 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 106.35 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.1 p -117.29 143.02 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -162.32 141.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.491 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.96 134.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -114.34 129.73 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -93.34 151.94 40.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.33 152.49 66.56 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.732 2.288 . . . . 0.0 112.077 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.9 m 65.05 8.68 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.541 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -136.89 143.42 42.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.38 136.94 54.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -130.96 159.07 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.9 mmm -83.62 150.99 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -106.41 -101.14 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.743 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -129.53 161.95 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.8 tt0 -137.22 157.07 47.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.69 -163.61 15.07 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -88.77 140.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.707 0.289 . . . . 0.0 110.523 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.22 135.65 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 6.3 p-10 -147.29 118.35 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.354 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 53.62 102.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -148.89 159.09 44.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.787 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -106.8 129.5 54.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.377 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.8 m -117.39 133.33 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -137.93 123.15 19.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.231 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.1 mtm -129.36 163.85 24.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.953 0.406 . . . . 0.0 110.983 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 32.3 t0 -156.07 170.43 22.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 93.25 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.771 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.491 HD12 ' NE2' ' A' ' 60' ' ' HIS . 5.5 mt -90.1 151.36 44.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.4 Cg_endo -74.73 131.22 14.37 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.774 2.316 . . . . 0.0 112.154 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.468 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 14.9 mt -52.33 105.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.8 m -81.71 -177.8 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -54.73 -28.85 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.469 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -38.6 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.465 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.423 ' CG ' HD22 ' A' ' 118' ' ' LEU . 31.9 t80 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.366 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.83 0.348 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.561 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -58.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.658 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.561 ' N ' HG22 ' A' ' 15' ' ' VAL . 26.4 m120 -64.05 -28.39 69.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 -178.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.1 170.65 30.34 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -91.72 149.74 39.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.04 136.41 24.74 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.843 2.362 . . . . 0.0 112.166 179.054 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -74.22 -11.83 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.522 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' HD13 ' A' ' 40' ' ' ILE . 65.5 t80 -124.58 129.23 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.57 125.82 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.53 -107.38 3.21 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -143.81 -56.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -90.25 120.91 31.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.576 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -122.55 140.29 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -136.17 172.58 12.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -127.41 96.92 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -37.35 -69.1 0.32 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.34 129.74 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.615 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.64 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 10.7 pm0 -81.54 -5.56 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.622 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -89.93 154.44 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' CB ' HD21 ' A' ' 36' ' ' LEU . 64.0 m-20 59.02 -158.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.524 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 36' ' ' LEU . 21.2 m120 -81.28 41.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 75.05 -32.15 1.09 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.597 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 34' ' ' ASN . 24.5 mt 61.99 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' GLY . 50.1 tp -99.25 128.92 45.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.646 -179.508 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -112.67 136.87 51.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -99.31 101.31 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.444 HD13 ' O ' ' A' ' 21' ' ' PHE . 13.1 mt -92.33 130.45 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.526 -179.497 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.2 t -131.5 127.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -107.53 105.62 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.483 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.16 -27.8 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.635 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' HZ1' ' HG2' ' A' ' 45' ' ' LYS . 25.5 ttpp -51.74 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.689 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' ' HZ1' ' A' ' 44' ' ' LYS . 64.5 mmtt -106.35 0.2 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.62 179.271 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.5 mmtm 56.16 32.34 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 13.1 pt20 -96.21 127.23 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.431 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 33.6 m0 -86.19 142.63 28.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB2' ' CE ' ' A' ' 100' ' ' MET . . . -140.31 147.64 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.433 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.99 135.86 53.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -118.09 121.3 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.2 t-20 -91.32 134.12 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.667 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 54' ' ' THR . 24.2 p-10 -108.53 -38.02 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.429 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.533 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 9.1 p -58.53 118.82 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.5 p -88.03 -9.98 51.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.658 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.6 tt0 -94.41 -45.17 7.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -113.56 151.15 32.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.672 -179.57 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.22 150.47 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 178.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.95 119.8 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.43 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.408 ' ND1' HG22 ' A' ' 92' ' ' VAL . 44.5 m-70 -103.74 128.52 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.37 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.9 t -108.02 130.03 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 tp -142.2 92.64 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.2 t -115.85 132.84 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.4 m -110.59 135.38 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.336 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -118.59 156.28 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.875 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.1 t30 -79.86 159.23 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -48.91 -41.15 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.566 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.8 t70 -79.79 70.4 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 26.8 m -154.21 113.4 3.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.78 78.2 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.424 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -120.4 156.39 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -137.88 160.49 39.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.597 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -89.83 138.81 31.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.507 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.1 mt -103.94 -98.59 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.212 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.09 -148.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -69.21 -2.89 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 0.0 110.472 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -46.36 117.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 -179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.11 123.65 27.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 88' ' ' VAL . 43.8 tp -117.54 129.89 56.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.687 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.71 154.21 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -107.88 150.71 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -103.98 168.93 8.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -37.06 86.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -58.49 -24.83 61.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.638 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.11 54.43 1.03 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -141.02 152.55 44.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 110.634 178.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -105.71 139.64 39.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.5 t -124.76 137.52 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.31 105.63 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -117.86 144.09 45.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -178.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.35 143.29 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.479 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' ND1' ' A' ' 60' ' ' HIS . 47.7 t -99.53 137.25 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.22 130.93 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -90.63 160.36 39.01 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.513 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.52 158.3 57.76 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.779 2.319 . . . . 0.0 112.117 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.3 t 55.87 13.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -135.97 151.14 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 m -129.24 135.04 48.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -129.06 163.29 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -86.52 155.24 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.926 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -114.48 -96.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.057 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.725 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -135.79 159.35 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -133.78 157.95 44.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 122.68 -161.44 16.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -94.77 139.34 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.44 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.431 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 2.6 t -122.62 135.3 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 5.4 p-10 -144.74 118.96 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.347 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.61 100.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.412 ' CD1' HG12 ' A' ' 106' ' ' VAL . 29.5 p90 -146.15 159.58 43.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.178 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -106.03 128.03 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.338 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -112.46 135.11 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -141.56 124.94 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.172 178.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -134.35 169.25 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.954 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.5 t0 -165.39 172.94 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.344 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.13 89.49 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.11 151.25 42.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.491 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.09 161.72 0.96 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.836 2.357 . . . . 0.0 112.155 178.043 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.98 108.33 16.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.2 m -67.17 170.0 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -54.45 -29.11 48.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -54.85 -38.69 67.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.497 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.705 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.08 -51.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.221 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 26.6 m120 -81.8 2.83 28.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -178.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.15 162.96 11.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -91.92 139.21 24.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.476 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.85 142.75 4.89 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.818 2.345 . . . . 0.0 112.191 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -73.24 -30.0 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 179.067 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 89.4 t80 -94.15 141.27 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -109.62 160.55 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.86 -133.97 1.59 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -136.68 -71.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.609 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -82.35 128.03 33.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.37 134.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -138.98 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.08 139.86 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -71.86 1.1 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -83.29 124.11 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.643 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.36 -26.7 63.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -59.67 154.54 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 35.2 t0 62.83 -145.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.533 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 11.0 t-20 -93.83 6.23 49.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.14 -20.53 10.53 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 28.2 mt 58.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.8 tp -106.37 129.19 54.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -107.38 123.74 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.531 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.0 ttp180 -80.54 122.78 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -109.52 130.85 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.516 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.32 129.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -105.13 100.93 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.544 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.67 -25.84 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.701 -179.109 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HZ2' ' HZ2' ' A' ' 45' ' ' LYS . 22.3 ttpp -56.51 -66.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.623 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HZ2' ' HZ2' ' A' ' 44' ' ' LYS . 34.6 mmtm -102.14 -1.6 31.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.596 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 42' ' ' ASN . 6.9 mmmt 55.53 38.44 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.705 -179.601 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.3 pt20 -97.3 124.81 41.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.455 179.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.426 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 40.1 m0 -81.08 142.7 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.11 34.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.41 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.479 ' CD2' HG21 ' A' ' 61' ' ' VAL . 70.2 m-85 -124.44 134.07 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -179.621 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . 51.8 t80 -120.12 125.78 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 179.433 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.0 t-20 -91.07 130.04 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.265 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 54' ' ' THR . 26.6 p-10 -101.53 -37.97 8.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.542 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.9 p -58.21 118.3 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.475 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 71.9 p -90.68 11.49 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -125.42 -14.61 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.655 -179.871 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.3 m-85 -136.78 142.35 42.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.649 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 12.6 pm0 -91.95 149.31 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.617 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -97.68 121.84 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.714 -179.573 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' NE2' HD12 ' A' ' 116' ' ' LEU . 23.1 m-70 -103.05 126.15 50.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 50' ' ' TYR . 54.2 t -106.36 128.14 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -142.55 91.69 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.314 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.9 t -114.58 131.58 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -110.01 133.57 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.91 163.9 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t30 -81.86 154.83 25.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -47.18 -49.34 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.6 73.39 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.8 m -154.33 115.92 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ARG . 16.3 t70 -78.18 80.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.465 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.1 pt -122.81 156.26 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.556 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.3 mtpt -128.95 166.92 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -104.79 135.93 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 mt -113.23 173.45 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.93 -139.17 2.17 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.01 4.26 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -50.77 122.52 7.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -81.98 129.25 34.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 45.0 tp -124.3 128.57 49.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -147.92 157.7 43.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -98.52 151.0 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -96.96 175.03 6.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.51 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -74.59 -36.16 63.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.611 HD22 ' CD ' ' A' ' 86' ' ' GLU . 45.3 p-10 -77.76 0.73 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.63 68.36 1.42 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.611 ' CD ' HD22 ' A' ' 84' ' ' ASN . 97.2 mt-10 -144.74 156.21 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.607 178.618 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -111.15 136.93 49.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.506 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.6 t -127.64 137.19 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.64 109.53 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.511 179.456 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.1 p -119.47 141.83 48.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.65 139.21 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.512 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.426 HG22 ' ND1' ' A' ' 60' ' ' HIS . 84.8 t -95.34 135.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.72 135.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.437 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -99.22 152.62 37.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.57 145.0 99.58 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 0.0 111.982 -178.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 6.9 m 62.07 23.24 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -144.04 125.35 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -106.31 126.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -119.63 160.21 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.0 mmm -83.98 153.77 23.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.66 -103.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.538 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.717 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.66 156.1 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 6.0 tm-20 -135.53 158.15 45.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.09 -158.84 14.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASP . 72.6 ttt-85 -92.99 140.65 29.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.5 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.493 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.2 t -124.77 136.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -149.18 116.49 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.55 100.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.493 ' CD1' HG12 ' A' ' 106' ' ' VAL . 24.2 p90 -153.06 158.44 41.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.761 -179.448 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -108.98 134.08 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -116.15 134.23 55.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -178.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -137.0 124.64 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.206 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.9 mtm -131.53 169.31 16.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.989 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.4 t0 -164.9 170.65 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.304 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.74 91.49 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.756 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' NE2' ' A' ' 60' ' ' HIS . 22.1 mt -87.31 166.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.512 -179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 3.0 Cg_exo -83.6 134.18 6.41 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.783 2.322 . . . . 0.0 112.049 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.431 HD22 ' CG ' ' A' ' 122' ' ' TYR . 15.6 mt -55.4 121.19 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.411 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -94.48 -162.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -64.87 -30.86 71.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.92 -53.4 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.431 ' CG ' HD22 ' A' ' 118' ' ' LEU . 43.1 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 179.524 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.751 0.31 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.1 -57.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.596 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.513 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.7 m120 -66.35 -27.75 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.657 -179.007 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.23 170.71 29.53 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -91.47 149.54 39.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.545 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -70.98 133.66 23.79 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.82 2.346 . . . . 0.0 112.226 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p -71.25 -16.43 62.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.6 145.6 45.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.783 HG22 ' H ' ' A' ' 23' ' ' GLY . 7.5 p -137.6 176.17 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.783 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -160.8 -109.46 0.25 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -149.4 -61.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -88.84 110.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.459 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.2 t -109.94 138.21 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -138.54 166.16 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -121.47 107.87 12.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.25 -70.01 0.52 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -87.13 121.63 29.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.622 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.52 -27.04 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.593 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -68.85 161.95 27.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.516 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.524 ' CB ' HD21 ' A' ' 36' ' ' LEU . 69.4 m-20 58.47 -161.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.445 HD22 ' CG1' ' A' ' 15' ' ' VAL . 43.2 p-10 -79.56 18.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.69 -26.52 24.16 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 33' ' ' ASP . 22.4 mt 62.54 -68.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.0 tp -122.31 133.42 54.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.18 130.71 54.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.3 ttp180 -88.86 109.48 20.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.612 179.485 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -97.84 134.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.522 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 48' ' ' TRP . 43.5 t -137.23 123.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.0 t-20 -104.88 103.79 13.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -56.37 -31.67 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.683 -179.47 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -52.83 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -95.13 -2.4 50.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 54.79 33.81 20.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.706 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -101.02 127.59 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 34.0 m0 -87.23 143.94 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.74 154.01 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' HD21 ' A' ' 37' ' ' LEU . 50.6 m-85 -129.38 141.39 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.731 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.571 ' O ' HD12 ' A' ' 37' ' ' LEU . 48.0 t80 -124.47 125.31 44.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -99.3 127.51 45.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 54' ' ' THR . 2.4 p30 -102.8 -33.31 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.537 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 8.9 p -57.22 118.2 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.501 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 69.7 p -97.06 18.19 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.602 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.93 -16.1 4.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.669 179.798 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.5 149.99 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.46 145.28 24.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 178.808 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.05 124.55 37.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.076 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -112.67 123.24 49.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.395 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.9 t -107.1 131.97 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.74 92.71 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -113.73 134.11 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -109.28 134.59 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.34 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.6 m-85 -117.54 163.29 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.777 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.4 t30 -84.81 153.1 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -47.51 -44.97 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.4 m-20 -78.13 71.24 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.55 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 34.8 m -153.86 116.08 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' ARG . 47.8 t0 -76.81 80.42 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 pt -123.26 158.33 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.557 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -142.75 161.27 38.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -91.56 141.66 28.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.537 HD21 ' CD ' ' A' ' 103' ' ' GLU . 96.2 mt -102.52 -98.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.399 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.73 -146.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -1.84 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.539 -179.46 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.7 m -45.96 114.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -77.14 118.41 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 59.7 tp -113.68 127.85 56.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -151.67 148.63 28.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.51 147.28 26.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -98.82 171.7 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 84' ' ' ASN . 3.1 pp20? -68.78 -32.98 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.484 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 17.1 p30 -61.87 -25.2 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.24 51.82 1.04 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.431 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.19 153.0 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.655 179.057 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -104.94 142.25 35.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.427 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.6 t -126.73 134.36 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.32 105.39 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.11 141.78 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.38 143.93 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 179.477 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -104.67 132.14 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.5 128.92 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -89.16 158.7 46.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.535 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 26.0 Cg_exo -62.02 167.85 9.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.813 2.342 . . . . 0.0 112.031 -179.574 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 14.3 p 41.56 21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 95' ' ' PRO . 67.4 mm-40 -138.74 150.17 45.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -129.27 137.69 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.47 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -133.53 159.6 39.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.8 mmm -83.95 151.23 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.585 179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CG ' HG23 ' A' ' 102' ' ' ILE . 17.1 t80 -110.36 -101.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.744 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.8 pp -130.62 160.98 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.137 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.537 ' CD ' HD21 ' A' ' 74' ' ' LEU . 22.7 pt-20 -132.36 -178.33 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.41 -161.29 20.57 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 36.6 ttm180 -95.76 142.4 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.45 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 2.9 t -124.83 135.44 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -147.15 118.67 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 56.37 102.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -153.73 155.35 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.776 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -106.12 131.62 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.0 m -113.14 136.54 52.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -142.89 122.59 13.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.31 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -130.28 172.95 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 110.957 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.2 t0 -160.82 172.81 16.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.288 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.93 87.9 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.716 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 mt -88.72 151.65 47.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.09 139.17 35.1 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.809 2.339 . . . . 0.0 112.116 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD13 ' CE2' ' A' ' 122' ' ' TYR . 63.6 mt -46.41 104.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.2 m -73.99 -175.71 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.564 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -59.56 -31.55 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -57.25 -37.76 72.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.464 ' CE2' HD13 ' A' ' 118' ' ' LEU . 54.7 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.807 0.337 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.622 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.9 -62.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.179 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.622 ' N ' HG22 ' A' ' 15' ' ' VAL . 28.7 m120 -60.9 -29.21 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.654 -179.437 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 169.05 165.17 25.99 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.419 ' N ' ' NE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -94.19 154.41 40.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.512 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.83 132.21 12.86 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.863 2.375 . . . . 0.0 112.215 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m -65.6 -30.61 71.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.54 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.601 ' HZ ' HE21 ' A' ' 47' ' ' GLN . 68.6 t80 -109.27 136.41 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.78 125.19 40.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.624 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.14 -111.93 3.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 1.1 pp20? -143.82 -38.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.635 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -102.27 126.7 49.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -133.91 131.01 56.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.7 t -148.37 144.25 27.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 179.167 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 17.3 pttp -87.89 132.73 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -68.08 1.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -88.77 127.41 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 0.0 110.689 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.03 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -64.8 143.34 58.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.712 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.44 ' CB ' HD21 ' A' ' 36' ' ' LEU . 3.0 m-20 70.22 179.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 35' ' ' GLY . 16.0 p30 -51.65 -32.36 29.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 153.89 -18.34 0.65 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 17.7 mt 62.76 -66.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.583 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.2 tp -130.37 133.87 46.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.03 135.41 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.496 179.206 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -88.86 103.93 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 21' ' ' PHE . 14.5 mt -94.72 120.64 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 48' ' ' TRP . 48.7 t -128.59 130.57 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.168 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -111.09 101.61 10.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -53.99 -33.24 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.724 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -49.93 -68.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.672 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -92.1 -3.55 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.2 mmtp 55.46 32.42 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.601 HE21 ' HZ ' ' A' ' 21' ' ' PHE . 16.3 pt20 -100.67 127.53 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.446 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CD1' HG13 ' A' ' 41' ' ' VAL . 28.4 m0 -86.46 147.62 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.39 149.46 33.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.624 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CD1' HD21 ' A' ' 37' ' ' LEU . 59.6 m-85 -124.05 142.49 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.664 ' O ' HD12 ' A' ' 37' ' ' LEU . 59.4 t80 -125.09 123.43 39.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -95.22 132.95 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 54' ' ' THR . 3.9 p30 -110.9 -29.02 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.397 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.559 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -62.55 119.2 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.54 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.2 p -95.33 14.36 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -128.69 -13.89 4.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.8 m-85 -135.97 147.35 48.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.714 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.3 pt-20 -92.73 146.11 23.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -94.15 119.82 33.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.299 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.453 ' CD2' HD12 ' A' ' 116' ' ' LEU . 52.3 m-70 -110.01 119.68 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.295 178.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -102.98 133.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.752 -178.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp -141.91 91.64 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.088 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -112.41 131.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.121 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.4 m -109.3 133.45 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.349 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -117.02 156.92 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -179.809 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.7 t30 -79.01 156.18 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.548 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.04 -44.2 30.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -77.02 70.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 35.5 m -153.89 114.05 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -79.28 77.86 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 pt -119.44 155.84 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.636 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -135.56 164.23 28.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.63 -179.547 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -95.76 139.03 32.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.502 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.6 mt -102.66 -102.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -58.12 -151.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.382 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -59.18 -4.21 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.524 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 75' ' ' GLY . 63.4 m -45.09 109.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.59 -179.69 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -77.85 119.95 22.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 55.0 tp -113.63 131.08 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.648 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -152.95 150.88 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -108.21 152.59 24.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.684 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -107.83 169.29 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.09 -37.39 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -58.37 -24.91 61.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.59 53.66 1.2 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.94 146.33 40.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.599 179.054 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.38 140.01 36.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 79' ' ' LEU . 90.5 t -126.42 133.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.92 103.15 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -114.66 146.03 41.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 p -162.07 152.27 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.521 179.513 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.3 t -111.66 136.45 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.638 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.2 t -117.28 131.69 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -91.27 157.73 42.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.35 154.93 68.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.797 2.331 . . . . 0.0 112.023 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 18.0 t 56.45 25.85 10.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.472 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -147.01 156.36 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.536 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.8 m -132.25 135.14 46.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -129.76 154.74 46.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.656 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.8 mtp -80.95 153.56 27.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -112.17 -101.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.217 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.731 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -128.13 161.35 36.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -137.07 157.42 46.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.621 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.84 -161.37 14.32 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -91.82 136.69 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.534 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.1 t -110.55 128.89 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.6 t30 -135.93 120.39 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.18 99.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.534 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.7 p90 -145.8 152.41 39.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.794 -179.347 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 15.3 mtpp -108.73 133.36 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.339 179.175 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -111.29 134.76 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -178.884 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -139.92 113.89 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.288 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.419 ' SD ' HD23 ' A' ' 37' ' ' LEU . 79.3 mtm -119.97 168.58 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.024 -178.846 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -162.48 171.65 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.386 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.12 88.63 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 60' ' ' HIS . 22.4 mt -86.27 165.15 35.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 4.7 Cg_exo -79.19 151.18 23.29 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.794 2.329 . . . . 0.0 112.137 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.42 119.49 20.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.1 m -88.98 -175.48 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.594 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 120' ' ' GLU . 1.8 pp20? -58.59 -29.41 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.85 -41.46 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 179.661 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . 156.34 -52.31 0.43 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m 65.66 -56.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.627 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' GLY . . . 88.38 8.44 71.13 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.39 154.32 36.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -84.15 145.23 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.0 p -144.66 161.16 39.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 42.89 75.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 10' ' ' SER . 21.0 p30 -55.01 -38.84 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.548 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.508 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 31.2 t -175.3 102.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 m 41.44 -131.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.6 t -140.09 136.17 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.583 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -127.02 131.7 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -101.45 172.87 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.35 -58.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.5 m120 -64.57 -26.19 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.13 160.44 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -90.09 149.38 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.549 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.05 137.37 37.37 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.77 2.313 . . . . 0.0 112.236 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 p -78.7 0.89 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -131.89 139.16 48.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.34 126.67 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.72 -109.93 3.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -141.01 -58.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -93.82 127.42 39.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -122.18 134.4 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.02 158.55 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 20.8 pttp -104.41 132.35 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.548 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.33 -65.6 2.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -79.45 132.45 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -88.72 49.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.587 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -149.64 143.62 25.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 68.95 -170.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.442 HD22 HG11 ' A' ' 15' ' ' VAL . 82.5 m-20 -50.88 -31.57 17.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 148.98 -19.47 1.23 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 61.11 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.604 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.9 tp -119.25 128.99 54.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.622 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.19 124.26 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -80.38 117.41 21.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.632 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.01 128.89 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 48' ' ' TRP . 44.0 t -132.96 129.13 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.532 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 46' ' ' LYS . 61.3 t30 -107.14 102.5 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.537 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.75 -31.42 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' HB3' ' ND2' ' A' ' 42' ' ' ASN . 26.4 ttmt -56.0 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 63.0 mttp -87.6 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 42' ' ' ASN . 2.4 mmtp 55.81 31.74 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -102.45 128.29 49.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.479 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.432 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 33.5 m0 -83.63 153.35 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.08 143.89 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.437 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.37 138.51 54.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' O ' HD12 ' A' ' 37' ' ' LEU . 27.6 t80 -122.29 124.21 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.482 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.59 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.5 t-20 -88.81 124.85 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.72 -47.54 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.496 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.449 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 11.3 p -56.96 135.9 56.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.505 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.416 ' H ' ' HG1' ' A' ' 55' ' ' THR . 36.4 p -104.53 12.57 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.441 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -127.59 -12.22 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -129.15 138.23 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.57 138.9 31.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.605 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.44 123.04 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -178.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -109.67 122.96 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.293 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.1 129.92 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 tp -142.05 92.74 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.9 t -113.35 131.01 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -107.99 134.13 51.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.357 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -116.88 159.36 22.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.8 t30 -79.99 157.62 26.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -47.65 -51.08 22.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.519 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 58.2 t0 -75.3 75.26 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.5 m -154.47 113.71 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 50.3 t0 -78.57 80.03 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 pt -121.28 158.96 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 103' ' ' GLU . 29.7 ttpt -132.0 165.74 23.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.626 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -103.92 136.62 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt -112.08 174.36 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.37 -138.56 1.42 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 3.67 54.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.1 m -48.31 124.76 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -83.61 126.53 32.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 41.6 tp -122.54 127.87 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.551 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -149.71 153.97 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -107.7 150.12 27.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -100.64 170.18 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -63.06 -24.59 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.23 57.25 0.85 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -143.6 149.68 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.548 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -103.77 140.66 37.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.483 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.486 ' O ' HD12 ' A' ' 79' ' ' LEU . 89.5 t -127.92 135.82 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.67 113.44 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -121.7 144.84 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 p -162.93 139.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -102.35 135.57 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.35 130.11 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.466 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -93.3 152.05 40.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.1 159.32 12.66 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.4 m 53.58 28.32 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 125' ' ' HIS . 65.9 tt0 -153.16 155.96 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.1 m -134.63 135.26 42.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -129.46 155.91 44.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.1 mtp -83.05 155.58 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.6 t80 -116.0 -103.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.04 163.19 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.9 tt0 -141.76 154.6 45.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.58 -159.29 14.42 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.6 ttt180 -94.39 138.21 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.537 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -109.57 130.66 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.4 t30 -135.2 120.94 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.79 97.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD1' HG12 ' A' ' 106' ' ' VAL . 21.6 p90 -145.68 157.84 43.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.788 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -116.98 135.55 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.312 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m -113.86 133.49 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.977 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -136.42 121.25 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.233 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.6 mtm -127.17 165.26 19.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.997 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 45.0 t0 -156.31 174.96 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.354 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.97 88.0 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.813 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.09 151.84 45.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' SER . 57.4 Cg_endo -72.92 135.64 23.67 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.144 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 122' ' ' TYR . 54.3 mt -41.48 98.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' PRO . 29.6 m -66.92 177.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.06 -29.52 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.434 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.55 -35.19 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.469 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 118' ' ' LEU . 58.0 t80 -59.95 -42.35 93.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.445 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -59.8 -41.42 91.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.494 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -67.84 -37.08 81.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.571 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.402 ' CE1' ' OE1' ' A' ' 97' ' ' GLU . 45.5 t60 -57.31 -33.94 68.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.4 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 86.1 mt-30 -58.98 -36.63 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.532 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 130' ' ' ASP . . . -66.5 -36.54 82.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.89 -34.47 78.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.555 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -61.33 -36.73 80.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 127' ' ' ALA . 58.0 p30 -163.04 160.2 24.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.584 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 51.4 tttp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.573 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' N ' ' A' ' 1' ' ' MET . 3.0 mpp? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.53 -128.72 30.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.3 m -151.43 153.86 35.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.6 48.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.21 72.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -104.83 147.06 28.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 82.8 p -72.17 -18.83 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.528 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 43.38 -111.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 7' ' ' SER . 77.4 m-20 56.87 44.14 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.585 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 t -86.49 128.16 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.9 t 172.93 13.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' H ' ' H ' ' A' ' 11' ' ' SER . 3.3 t -146.04 135.78 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.518 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 m -128.65 138.12 52.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.63 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -117.09 163.17 16.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.63 -52.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.253 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 15' ' ' VAL . 26.0 m120 -81.84 4.62 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.656 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.66 155.94 9.15 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.637 ' H ' ' NE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -85.95 149.39 50.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.82 148.97 20.91 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.866 2.377 . . . . 0.0 112.189 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.3 m -79.04 -19.57 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -113.06 140.63 47.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.76 129.78 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.99 -118.51 3.11 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -136.98 -62.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.594 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -92.1 129.19 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.69 132.89 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.95 133.5 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.474 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -93.65 132.82 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.31 -69.6 1.29 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -88.16 132.0 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.619 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.85 4.18 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -91.77 154.18 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 37.8 t0 61.69 -141.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.523 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 24.6 p-10 -92.33 13.22 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.87 -19.45 44.05 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.5 mt 59.89 -76.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.623 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.6 tp -112.93 131.51 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -108.49 125.3 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -81.76 112.07 18.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.64 130.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 48' ' ' TRP . 41.7 t -132.23 127.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 46' ' ' LYS . 54.1 t30 -105.96 103.75 13.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.0 -30.67 64.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HZ2' ' HG3' ' A' ' 45' ' ' LYS . 24.9 ttpp -58.25 -57.93 10.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.627 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 89.3 mttt -99.16 -4.07 33.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 54.01 28.19 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.763 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.97 127.78 44.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.457 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.2 m0 -85.88 147.33 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.92 147.05 32.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.495 ' CD1' HD21 ' A' ' 37' ' ' LEU . 57.8 m-85 -123.73 138.83 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.826 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.632 ' O ' HD12 ' A' ' 37' ' ' LEU . 60.9 t80 -125.44 127.07 45.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.525 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 39.0 t-20 -96.2 131.34 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 54' ' ' THR . 39.9 p-10 -102.18 -35.48 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.521 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.7 122.44 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.517 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 47.3 p -97.04 15.5 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.19 -15.58 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -135.75 145.82 47.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -93.32 145.86 24.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.517 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.553 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.59 122.35 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.641 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.41 ' CE1' HD12 ' A' ' 116' ' ' LEU . 48.1 m-70 -108.53 117.53 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.437 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.38 134.46 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 tp -142.87 91.31 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.365 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.29 135.05 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -113.09 135.0 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.397 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -118.69 164.24 15.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 36.2 t30 -82.95 154.69 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.56 -44.74 36.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.5 m-20 -79.55 72.78 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 33.8 m -153.58 116.83 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 105' ' ' ARG . 43.5 t0 -77.65 80.11 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -122.15 155.52 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 34.7 tttp -136.01 162.03 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -95.45 145.61 25.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' GLY . 63.6 mt -112.91 -103.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.53 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.9 -158.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -53.33 -6.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.507 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 75' ' ' GLY . 90.5 m -44.9 111.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -80.65 121.29 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 57.3 tp -113.65 131.75 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -153.58 153.76 32.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.25 151.94 25.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -106.61 168.43 9.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.49 -37.18 86.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -59.72 -25.2 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.85 56.42 1.02 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -140.92 146.79 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.354 . . . . 0.0 110.613 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -101.14 137.74 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 79' ' ' LEU . 81.9 t -126.12 135.41 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.0 103.54 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.1 p -113.8 144.83 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.61 147.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.22 134.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.714 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.51 133.02 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -90.0 154.3 47.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.75 148.06 84.96 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.794 2.33 . . . . 0.0 112.092 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 m 59.63 30.78 20.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.588 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 89.9 mt-10 -149.19 135.35 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.579 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -117.2 123.98 47.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -119.35 163.43 17.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -81.21 153.7 27.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -115.77 -94.24 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.703 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -134.07 155.51 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.7 tt0 -132.04 155.15 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.66 -159.71 18.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASP . 58.5 ttm-85 -94.69 141.71 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.479 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.97 135.92 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -140.53 121.79 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.315 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.81 98.35 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -139.77 156.31 46.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.709 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -106.94 129.28 54.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.2 m -111.85 134.42 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -138.28 121.69 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 113' ' ' MET . 2.8 mpp? -133.17 171.29 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 111.04 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.4 t0 -160.35 172.55 17.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.31 87.42 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.76 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 60' ' ' HIS . 12.6 mt -87.37 150.18 48.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.72 149.43 60.73 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.817 2.345 . . . . 0.0 112.119 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.65 128.65 36.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.7 m -95.33 -170.61 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.57 -31.01 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.471 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.26 -39.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -66.83 -40.93 88.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -55.99 -42.21 76.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.438 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -69.72 -38.97 77.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.588 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 38.4 t60 -56.05 -28.57 58.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -94.87 -35.51 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 130' ' ' ASP . . . -65.53 -35.51 81.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.485 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -65.73 -30.21 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.585 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -56.78 -37.18 70.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 127' ' ' ALA . 85.0 m-20 55.26 45.5 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.526 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.0 mtm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.98 -176.29 51.46 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -148.51 162.14 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.27 111.79 3.14 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.5 149.48 47.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -79.03 -0.96 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.2 p -61.54 -15.74 41.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.87 -32.05 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -137.04 156.11 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.2 p -172.87 8.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t -59.64 -161.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 t -139.54 135.51 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.553 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -126.85 131.54 51.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -105.71 168.18 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -60.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 -179.182 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.571 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.8 m120 -63.67 -28.47 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.682 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.22 161.4 18.01 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -92.77 149.14 37.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.476 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.65 139.03 27.52 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.838 2.359 . . . . 0.0 112.226 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -85.48 9.04 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -136.32 127.95 28.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.06 128.56 68.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.25 -114.79 3.49 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -136.52 -59.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -89.72 116.92 28.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.56 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -119.33 131.85 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -139.96 171.18 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.2 mttm -114.93 97.08 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -33.57 -77.45 0.04 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -66.59 137.35 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.664 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 2.6 pm0 -94.96 31.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -132.15 159.11 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 58.25 -149.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -84.14 20.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 95.46 -23.84 31.92 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 23.9 mt 60.09 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.2 tp -105.95 134.03 49.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -108.79 128.25 54.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -85.74 110.63 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -103.74 130.86 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 48' ' ' TRP . 43.9 t -132.56 126.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.654 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.1 t-20 -102.85 104.3 14.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.07 -32.37 70.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.693 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -59.34 -52.39 65.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -100.81 -6.09 25.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 55.73 22.42 5.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.686 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -97.29 127.91 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.442 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.2 m0 -83.53 153.81 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.96 145.19 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -124.42 137.13 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' O ' HD12 ' A' ' 37' ' ' LEU . 53.3 t80 -121.39 122.77 40.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 130.93 38.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 54' ' ' THR . 25.7 p-10 -106.8 -35.4 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.539 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.5 p -58.21 120.31 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 63.1 p -95.52 13.35 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -126.02 -15.83 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.661 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -136.16 145.41 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.23 145.14 24.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 121.93 34.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 116' ' ' LEU . 48.3 m-70 -108.16 121.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -101.8 131.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.825 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 tp -142.05 92.37 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.305 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.95 131.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -110.08 135.23 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.383 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -118.22 158.06 25.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.734 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.532 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 40.4 t30 -76.76 157.2 31.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -47.27 -45.97 24.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.582 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.3 t70 -80.82 77.2 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.5 m -154.78 112.45 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.4 t0 -76.27 80.71 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.464 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 65' ' ' PHE . 23.5 pt -123.84 159.35 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.59 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.8 mtpt -132.03 171.19 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.612 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -109.38 136.37 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.54 173.3 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.589 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.88 -137.88 1.35 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -87.14 -2.8 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.5 m -44.54 117.13 1.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -81.85 126.94 32.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 43.8 tp -121.45 127.25 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.608 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -147.84 154.03 39.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -106.86 151.84 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -103.18 165.92 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.99 -35.83 81.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.506 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -63.54 -25.12 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.67 61.8 0.76 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -144.55 146.39 32.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -102.4 136.37 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.508 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.514 ' O ' HD12 ' A' ' 79' ' ' LEU . 88.6 t -126.0 139.7 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.512 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.08 108.07 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.5 p -118.67 143.9 46.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.644 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.88 144.82 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -103.25 135.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.651 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 t -114.93 128.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -90.12 156.56 46.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.453 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.93 155.71 58.7 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.77 2.314 . . . . 0.0 112.074 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 34.3 t 55.43 22.82 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.595 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 48.9 mt-10 -144.64 145.41 31.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.58 138.57 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -133.8 163.43 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.3 mmm -86.93 155.14 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CG ' HG23 ' A' ' 102' ' ' ILE . 19.7 t80 -116.68 -102.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.41 HG23 ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.87 161.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.8 tt0 -139.92 153.44 46.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.92 -159.44 15.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.9 ttt180 -95.94 139.39 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -119.88 132.38 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 3.4 p-10 -139.27 118.65 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.25 97.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 106' ' ' VAL . 19.5 p90 -145.79 157.4 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.806 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -108.54 127.57 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.288 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -111.04 134.88 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -136.87 123.64 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.244 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.1 mtm -130.18 162.42 28.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 110.95 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.4 t0 -156.64 172.17 19.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.6 87.24 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.691 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 60' ' ' HIS . 12.1 mt -85.74 150.51 53.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.65 146.4 48.91 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.827 2.352 . . . . 0.0 112.089 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.411 HD22 ' CG ' ' A' ' 122' ' ' TYR . 16.4 mt -68.16 111.76 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 m -86.93 -168.11 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.9 -30.71 69.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 11.4 pt-20 -55.29 -41.54 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.43 ' N ' ' CG ' ' A' ' 121' ' ' GLU . 42.2 t80 -65.96 -42.29 90.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.464 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -58.11 -42.49 85.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -70.13 -38.09 75.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.53 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.595 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 29.2 t60 -55.36 -45.96 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.504 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -69.69 -34.74 74.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.508 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.55 -55.28 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.484 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 128' ' ' GLU . 1.7 pp20? -66.34 -18.16 65.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -41.26 -53.74 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 62.0 t0 42.19 41.46 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.8 tttm . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.544 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.34 -33.82 58.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.4 -70.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.76 0.314 . . . . 0.0 110.613 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' C ' ' N ' ' A' ' 6' ' ' SER . . . -55.86 -36.31 65.97 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 44.68 19.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.303 . . . . 0.0 110.526 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.459 ' N ' ' C ' ' A' ' 4' ' ' GLY . 23.3 m -57.5 -34.95 69.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.6 m -61.01 151.57 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -58.32 -33.86 69.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.563 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 57.45 45.58 19.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.5 t -86.95 145.02 26.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 t -132.4 18.88 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -143.42 142.34 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -133.5 155.24 49.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.718 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -125.78 164.26 21.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.424 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.93 -56.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' N ' HG22 ' A' ' 15' ' ' VAL . 28.7 m120 -71.0 -23.55 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.83 162.7 10.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.766 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -92.56 145.65 30.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.514 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.82 152.7 12.93 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.82 2.347 . . . . 0.0 112.189 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.0 m -83.44 -21.82 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 79.7 t80 -96.2 141.39 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.505 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -102.16 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.53 -144.23 3.98 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -131.58 -73.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -75.49 124.25 26.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.604 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.44 129.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -148.44 161.35 41.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -96.69 134.0 40.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.49 -60.7 4.55 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -78.65 145.22 34.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.618 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -95.13 26.15 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -121.81 154.46 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 31.0 t0 57.08 -155.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.548 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 25.7 m120 -65.03 -33.34 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 159.01 -22.44 0.31 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 19.2 mt 61.35 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.9 tp -106.6 131.86 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.619 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.97 130.97 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.533 ' NH1' ' OH ' ' A' ' 50' ' ' TYR . 36.3 ttm-85 -89.42 115.59 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.3 mt -106.01 128.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.49 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.74 131.17 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t-20 -107.84 102.55 11.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -56.77 -27.76 60.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -54.76 -58.43 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HB3' ' HZ3' ' A' ' 45' ' ' LYS . 7.8 mtpm? -107.15 1.19 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.641 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 55.09 30.37 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.745 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' OE1' ' NZ ' ' A' ' 45' ' ' LYS . 20.0 pt20 -98.21 127.3 44.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.496 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 37.2 m0 -82.45 152.21 26.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.608 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.19 145.18 28.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 52.7 m-85 -120.31 142.43 49.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.721 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -130.19 123.81 31.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.474 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.596 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 5.5 t-20 -89.06 134.71 33.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 54' ' ' THR . 29.7 p-10 -106.51 -36.22 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.561 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -63.5 118.58 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.492 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.6 p -90.19 12.3 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -124.71 -19.28 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.653 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -134.84 142.36 46.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.598 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.9 pm0 -91.85 142.53 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.78 116.92 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.661 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.451 ' CE1' HD12 ' A' ' 116' ' ' LEU . 22.8 m-70 -95.11 128.16 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 50' ' ' TYR . 58.1 t -101.74 129.88 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.13 91.44 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.366 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.22 134.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -111.86 136.05 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.366 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.99 165.92 14.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.499 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 8.9 t-20 -82.19 157.04 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -49.96 -48.68 52.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 51.4 p30 -79.12 77.81 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.9 m -153.65 116.0 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.5 m-20 -75.92 80.64 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 pt -124.59 157.09 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 103' ' ' GLU . 14.0 ttmt -132.22 162.88 29.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -101.18 136.71 40.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -111.96 172.37 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.05 -137.8 1.92 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' NZ ' HG23 ' A' ' 91' ' ' VAL . 1.3 ptmm? -90.78 -0.15 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.489 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -45.02 121.34 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -81.4 127.66 33.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 88' ' ' VAL . 50.8 tp -125.09 130.8 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -152.62 157.22 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.406 HE21 ' HA2' ' A' ' 85' ' ' GLY . 62.8 tt0 -108.52 151.24 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.525 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -104.7 167.13 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.549 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.93 -36.2 82.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -61.75 -25.23 67.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.57 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.406 ' HA2' HE21 ' A' ' 81' ' ' GLN . . . 99.21 59.19 0.89 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -142.96 147.97 36.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -102.3 137.34 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 87.6 t -126.85 134.36 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.12 113.88 11.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.502 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.4 p -124.28 143.86 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.484 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 9.5 p -161.67 139.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.432 HG22 ' ND1' ' A' ' 60' ' ' HIS . 59.2 t -94.25 139.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.678 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.0 t -118.63 132.74 67.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.413 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -93.53 152.91 41.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.499 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.68 151.09 78.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.667 2.245 . . . . 0.0 112.091 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.4 t 60.04 31.22 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -150.27 155.95 40.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -135.22 116.75 14.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.04 165.27 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.8 mmm -86.44 155.59 20.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.625 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -120.14 -103.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -122.02 159.21 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.8 tt0 -137.71 153.1 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.67 -158.95 16.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' ASP . 25.7 ttm105 -95.93 140.36 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.45 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.496 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.8 t -123.87 137.5 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -137.9 122.27 18.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.352 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.74 97.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -138.87 156.13 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.753 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -107.52 129.76 54.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.37 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.4 m -112.63 136.52 52.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -140.37 126.02 19.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.176 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -134.66 163.37 29.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.987 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 39.3 t0 -149.77 171.56 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.299 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 92.51 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 60' ' ' HIS . 7.8 mt -91.98 150.79 41.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.482 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.7 Cg_endo -74.81 135.03 18.92 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.795 2.33 . . . . 0.0 112.128 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.441 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.8 mt -54.78 138.81 41.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.343 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -110.58 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.559 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' HA ' HH11 ' A' ' 123' ' ' ARG . 45.8 tp10 -54.86 -32.23 60.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.544 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.531 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 42.8 t80 -63.84 -44.95 91.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.409 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.405 HH11 ' HA ' ' A' ' 120' ' ' GLU . 73.3 mtt85 -58.25 -40.03 80.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.457 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -68.03 -36.91 80.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.561 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.728 ' CE1' ' HZ3' ' A' ' 129' ' ' LYS . 46.6 t60 -58.42 -25.11 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.46 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.531 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 90.5 mt-30 -72.81 -20.03 61.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.59 -53.67 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.413 ' OE2' ' CE1' ' A' ' 125' ' ' HIS . 14.2 pt-20 -61.38 -30.1 70.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.504 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.728 ' HZ3' ' CE1' ' A' ' 125' ' ' HIS . 50.8 mttp -85.39 -3.59 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.6 t70 54.6 45.35 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 80.6 tttt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.561 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mmt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.26 7.47 69.79 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -152.56 155.45 37.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.77 0.319 . . . . 0.0 110.595 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.93 25.04 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 7' ' ' SER . . . -62.44 -31.14 71.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 44.69 18.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 5' ' ' ALA . 15.9 t 41.31 57.13 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.53 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 7' ' ' SER . 79.0 mm-40 54.68 109.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 10' ' ' SER . 85.4 m-20 -55.67 -34.16 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 9' ' ' ASN . 37.4 m 43.88 95.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.9 p -154.72 -140.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -141.82 133.92 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.573 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -122.28 140.7 52.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.631 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -120.53 173.64 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.476 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.02 -55.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.626 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 15' ' ' VAL . 34.8 m120 -76.49 -23.8 53.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.16 175.46 29.12 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -91.49 158.3 40.87 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.89 141.47 30.25 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.873 2.382 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.43 ' CB ' ' HG1' ' A' ' 98' ' ' THR . 21.2 p -74.93 -14.52 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -121.34 151.14 40.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.499 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.774 HG22 ' H ' ' A' ' 23' ' ' GLY . 9.0 p -136.56 176.35 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.774 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -161.29 -113.67 0.32 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -143.92 -57.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.616 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -92.99 128.28 38.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.28 134.23 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -147.84 159.6 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.49 121.73 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.86 -70.14 1.05 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -73.01 -131.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.526 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -170.47 51.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -154.09 150.32 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 43.1 t0 61.02 -135.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.506 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.552 HD21 ' HZ ' ' A' ' 38' ' ' PHE . 5.5 p-10 -90.36 12.29 18.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.2 -16.82 56.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 60.89 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.644 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.3 tp -107.84 134.11 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.552 ' HZ ' HD21 ' A' ' 34' ' ' ASN . 59.3 m-85 -110.42 137.65 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.528 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -90.55 102.72 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.75 124.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 48' ' ' TRP . 38.2 t -132.4 127.93 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -109.15 103.88 12.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -57.57 -31.4 66.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.668 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -55.43 -55.0 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.8 mmtt -102.99 -4.67 24.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.638 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 54.29 32.16 15.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.685 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -102.38 125.69 49.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.486 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CD1' HG13 ' A' ' 41' ' ' VAL . 37.3 m0 -84.14 146.33 27.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.5 148.64 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.365 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.465 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 65.4 m-85 -122.55 146.39 47.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 37' ' ' LEU . 51.4 t80 -131.78 122.47 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.446 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 64.9 t-20 -92.02 137.38 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 31.3 p-10 -112.26 -36.84 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.71 123.51 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.1 p -96.84 13.67 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.65 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -126.29 -13.48 6.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.7 m-85 -138.66 145.08 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.2 pt-20 -92.77 146.42 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.454 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.02 117.66 30.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.705 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.419 ' CE1' HD12 ' A' ' 116' ' ' LEU . 43.2 m-70 -105.71 123.6 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.318 179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.76 133.54 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.768 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.11 92.39 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.69 131.69 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.794 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -111.73 131.07 55.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.391 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -115.41 160.13 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.782 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.2 t30 -75.52 155.51 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.61 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -49.06 -45.0 42.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 63.1 t0 -79.54 74.43 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 31.8 m -154.15 114.96 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.594 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.1 m-20 -76.75 80.33 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.74 154.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.1 mtpp -127.91 169.95 13.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -106.53 141.23 38.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 75' ' ' GLY . 14.1 mt -120.37 174.08 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' LEU . . . 38.77 -137.56 0.95 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.511 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.4 m -45.49 117.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -85.09 124.36 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.536 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 56.3 tp -119.03 131.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -151.51 154.04 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.561 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.93 150.7 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -101.74 169.56 8.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.04 -34.99 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -66.77 -24.54 66.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.28 63.87 0.77 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -144.44 147.43 33.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -102.91 137.58 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.9 t -130.65 133.22 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.57 107.59 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.3 p -115.31 143.96 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.634 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.73 139.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.442 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.73 135.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.36 135.06 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.47 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -97.81 153.41 38.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.67 152.19 50.4 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.781 2.321 . . . . 0.0 112.135 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.2 t 51.48 42.13 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.497 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -156.32 156.87 34.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.43 ' HG1' ' CB ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -135.25 144.76 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -140.52 162.32 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.608 -179.226 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.5 mmm -88.07 142.44 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' HG23 ' A' ' 102' ' ' ILE . 17.0 t80 -104.05 -102.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -124.13 154.78 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 72' ' ' LYS . 84.4 tt0 -131.96 156.42 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.573 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.18 -160.05 14.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.4 ttm-85 -93.55 139.92 30.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.468 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.7 t -121.77 135.67 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.797 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -148.45 116.13 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.325 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.82 99.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CD1' HG12 ' A' ' 106' ' ' VAL . 23.7 p90 -151.12 154.24 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -105.42 132.42 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.309 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 m -117.26 132.94 56.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -136.77 119.41 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.196 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 75.0 mtm -124.44 163.42 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.019 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -157.7 170.99 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.22 88.56 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.72 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.419 HD12 ' CE1' ' A' ' 60' ' ' HIS . 18.5 mt -85.75 164.41 39.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 6.1 Cg_exo -75.8 152.74 37.48 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.778 2.318 . . . . 0.0 112.074 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.64 111.26 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -80.26 -165.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -66.4 -30.49 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -54.95 -38.22 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.592 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 31.9 t80 -65.38 -43.72 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.428 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -56.07 -40.5 73.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.461 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -68.77 -38.38 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.549 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -56.9 -32.51 65.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.557 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.592 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 94.0 mt-30 -60.03 -19.89 55.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.582 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 130' ' ' ASP . . . -87.13 -62.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.532 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 129' ' ' LYS . 19.5 pt-20 -50.58 -38.13 43.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 -178.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -79.76 -8.25 59.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 127' ' ' ALA . 22.3 t70 -122.77 114.22 20.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 56.7 tttp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.921 -1.037 . . . . 0.0 110.591 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.7 145.57 47.14 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -57.75 -35.77 71.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.541 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.08 163.31 50.65 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 145.41 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -100.37 153.67 19.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.6 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 9' ' ' ASN . 42.0 p -80.48 -2.09 44.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 55.29 10.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 7' ' ' SER . 86.0 m-20 -122.53 125.21 45.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.623 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -141.05 145.56 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.623 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t -78.89 -151.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.565 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 t -142.96 136.19 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 m -128.11 138.21 52.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.667 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -117.52 170.99 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.395 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.94 -49.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -88.12 4.24 46.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.705 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.76 173.03 13.42 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.6 153.13 50.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.77 149.77 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.822 2.348 . . . . 0.0 112.209 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.506 ' HG1' ' CB ' ' A' ' 98' ' ' THR . 17.1 p -84.73 2.31 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -132.59 145.28 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.486 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.71 141.62 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.15 -111.97 1.37 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -145.19 -62.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.623 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.92 119.74 31.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -110.95 135.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -137.15 170.91 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -132.94 115.32 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.05 -65.7 3.36 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.66 121.91 32.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -73.65 -23.04 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.551 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -56.94 158.29 5.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.7 t0 55.78 -143.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 81.5 m-20 -90.91 8.97 32.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.35 -20.75 10.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 51.5 mt 56.73 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.665 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 51' ' ' TYR . 15.3 tp -107.83 130.37 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -109.63 126.46 53.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.485 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' THR . 60.5 ttp180 -84.22 123.2 29.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.14 131.41 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.507 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -134.24 128.99 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' LYS . 54.6 t30 -109.24 103.55 12.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -54.81 -31.95 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.683 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 44.5 mtmt -97.94 -2.34 40.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 58.09 37.63 26.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -100.18 126.16 46.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.491 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 37.5 m0 -85.21 144.92 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.79 146.01 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CD2' HG21 ' A' ' 61' ' ' VAL . 66.6 m-85 -123.88 136.27 54.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 37' ' ' LEU . 56.0 t80 -119.31 126.38 51.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.44 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 52.0 t-20 -95.32 133.85 38.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 54' ' ' THR . 22.5 p-10 -105.08 -40.73 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.532 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.4 p -58.62 116.42 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -86.76 -4.16 59.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.9 tt0 -95.3 -46.58 6.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.97 150.5 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -93.47 150.26 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.519 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.82 122.73 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.48 ' ND1' HG22 ' A' ' 92' ' ' VAL . 39.0 m-70 -106.63 119.15 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.381 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 50' ' ' TYR . 75.8 t -97.71 132.93 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -143.35 92.07 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.348 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.4 t -113.18 134.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.8 m -112.49 134.46 54.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.412 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.03 163.01 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.1 t30 -81.22 160.27 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.8 -52.38 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.45 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 56.3 t0 -74.34 76.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.9 m -154.27 113.2 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' ARG . 42.8 t0 -76.64 79.92 3.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.538 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.73 156.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -138.12 160.79 38.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -91.53 140.5 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.544 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.7 mt -103.02 -101.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.59 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.0 -154.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -59.99 -2.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.545 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 75' ' ' GLY . 60.7 m -46.41 116.64 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -80.08 123.28 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 52.0 tp -118.27 132.48 56.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -155.31 154.64 32.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -108.78 151.38 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -105.07 168.28 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.92 -36.37 83.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -60.74 -25.18 66.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.25 57.6 0.95 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -142.19 146.09 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.578 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.45 138.78 38.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' HD12 ' A' ' 79' ' ' LEU . 91.1 t -126.78 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.25 106.47 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.6 p -117.31 143.07 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.16 145.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.48 HG22 ' ND1' ' A' ' 60' ' ' HIS . 49.8 t -101.83 134.22 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.35 134.55 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.486 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -92.95 156.14 40.77 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.528 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.501 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 33.4 Cg_exo -56.55 162.76 7.77 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.725 2.283 . . . . 0.0 112.083 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 15.1 p 40.82 25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.416 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' PRO . 57.2 mm-40 -142.4 130.77 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.506 ' CB ' ' HG1' ' A' ' 20' ' ' THR . 0.7 OUTLIER -114.1 122.1 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.529 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -112.92 160.27 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 82.7 mmm -82.05 149.87 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -111.54 -101.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.72 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -127.28 156.7 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.2 tt0 -133.9 153.75 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.67 -161.03 18.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ASP . 71.7 ttt180 -92.4 141.28 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.491 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.3 t -123.56 133.6 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -134.98 121.46 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.293 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.81 98.46 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -139.77 156.63 46.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.757 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -110.3 127.79 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.331 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -107.51 135.7 48.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -140.9 124.89 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -133.73 172.79 12.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.5 t70 -165.58 170.2 14.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.361 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.86 94.66 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.787 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mt -96.94 152.51 38.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.415 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 161.52 2.21 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.829 2.352 . . . . 0.0 112.107 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.74 123.91 32.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.428 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -83.02 178.91 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.93 -29.97 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.46 -38.17 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.548 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 31.1 t80 -63.25 -45.82 89.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.4 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -56.01 -41.56 75.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.459 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.91 -36.66 75.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.547 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 129' ' ' LYS . 31.8 t60 -58.99 -34.07 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.551 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.548 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 96.8 mt-30 -55.13 -36.99 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.519 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.4 -53.34 36.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -68.44 -23.4 64.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.525 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 125' ' ' HIS . 29.6 ttpt -48.59 -43.79 36.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -81.05 118.38 22.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.541 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttp . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.536 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.45 -37.11 65.31 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.6 -38.06 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.57 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.23 129.88 2.36 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.77 146.25 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.347 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -117.17 147.24 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.2 p -63.82 -24.8 67.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.35 -33.7 76.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.579 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.406 HD21 ' HG2' ' A' ' 31' ' ' GLU . 89.6 m-20 -101.05 28.22 5.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.583 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -55.63 -48.3 75.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 m -164.04 -144.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.8 t -124.61 138.5 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.471 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -135.98 152.35 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -126.85 158.7 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.94 -57.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.599 -179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.517 ' N ' HG22 ' A' ' 15' ' ' VAL . 28.1 m120 -65.53 -25.75 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.712 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.7 174.31 26.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -99.68 137.74 20.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.43 148.46 5.2 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.83 2.353 . . . . 0.0 112.198 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -84.17 -0.66 52.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.479 ' HZ ' HE21 ' A' ' 47' ' ' GLN . 76.9 t80 -127.51 138.44 52.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.76 129.94 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.633 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.37 -104.17 2.38 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.49 -59.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -96.8 125.97 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.29 140.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -144.07 170.61 15.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 108.57 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.69 -71.36 0.4 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.41 125.41 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.637 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HG2' HD21 ' A' ' 9' ' ' ASN . 51.7 mp0 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -64.12 160.32 18.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' CB ' HD21 ' A' ' 36' ' ' LEU . 64.9 m-20 57.65 -158.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -79.67 8.91 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 112.08 -28.48 9.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.6 mt 60.41 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.69 0.281 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 56.5 tp -101.3 126.0 48.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -107.8 125.29 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' THR . 55.0 ttp180 -88.85 115.14 26.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.5 mt -104.89 130.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.29 129.34 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.5 t-20 -106.49 101.97 11.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.554 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -54.09 -29.79 45.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.726 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -51.65 -70.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.673 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -93.87 -2.15 53.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 57.98 30.95 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.479 HE21 ' HZ ' ' A' ' 21' ' ' PHE . 15.8 pt20 -96.88 128.94 44.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.406 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 35.6 m0 -83.98 142.4 30.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.04 144.51 38.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.418 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -123.46 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -125.12 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.503 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 53.4 t-20 -92.22 129.41 38.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.705 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 54' ' ' THR . 23.8 p-10 -103.25 -38.93 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.463 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.555 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.8 p -59.2 117.2 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -89.06 0.66 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -113.21 -16.21 12.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -135.63 149.1 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.668 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -93.97 142.99 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.46 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.662 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.66 121.76 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.444 ' ND1' HG22 ' A' ' 92' ' ' VAL . 47.3 m-70 -106.47 131.57 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.321 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.2 t -111.54 132.42 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.773 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 tp -143.28 95.27 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -115.86 130.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.743 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -108.26 133.13 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.37 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.02 160.4 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.5 t30 -79.15 153.63 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -47.3 -43.69 22.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-20 -79.28 72.1 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.623 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 37.5 m -153.85 112.08 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.606 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -77.44 80.5 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.424 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.57 158.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.603 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 15.5 ttmt -132.34 162.48 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -96.47 138.97 33.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.5 mt -116.59 167.92 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.31 -135.51 9.56 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -92.51 -2.12 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.3 m -47.5 123.0 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -85.12 127.87 34.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 60.5 tp -122.28 130.78 53.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.576 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.19 152.55 33.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -107.82 151.06 26.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.603 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -105.07 169.78 8.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -65.23 -34.46 78.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -64.35 -25.24 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.87 55.17 1.01 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -136.12 141.58 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.46 133.86 42.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.4 t -121.35 129.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.642 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.11 107.8 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.508 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 p -119.61 144.46 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.91 139.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.473 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.444 HG22 ' ND1' ' A' ' 60' ' ' HIS . 40.1 t -97.76 133.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.0 t -112.8 130.33 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.25 152.77 39.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.469 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.84 151.44 71.11 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.752 2.301 . . . . 0.0 112.107 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.32 25.76 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.495 ' OE1' ' CE1' ' A' ' 125' ' ' HIS . 64.0 tt0 -149.09 156.38 42.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -137.91 120.23 15.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 75.5 mm-40 -112.95 160.75 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.2 mtp -84.38 154.82 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -116.89 -103.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.744 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -128.41 157.16 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -134.37 -177.31 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.562 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 96.69 -155.42 20.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -96.75 139.99 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.447 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.8 t -111.88 132.4 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' GLY . 4.3 t30 -137.39 121.38 17.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.6 98.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.51 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.2 p90 -145.92 156.71 43.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 110.816 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -115.74 135.51 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.344 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -113.11 134.01 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -142.34 123.08 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 113' ' ' MET . 4.2 mpp? -128.61 172.51 11.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 110.955 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.9 t70 -161.34 170.99 19.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -122.47 89.03 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.679 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 60' ' ' HIS . 9.2 mt -90.12 151.86 45.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.594 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.7 142.26 47.69 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.095 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' A' ' 122' ' ' TYR . 56.4 mt -50.05 105.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.428 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.1 m -67.43 167.05 13.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -51.48 -28.25 12.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.47 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.23 -33.7 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.523 ' CE2' HD13 ' A' ' 118' ' ' LEU . 55.6 t80 -56.53 -44.83 81.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -56.57 -41.2 76.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.452 ' O ' ' OE2' ' A' ' 128' ' ' GLU . 95.2 mt-30 -69.08 -38.77 79.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.555 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.495 ' CE1' ' OE1' ' A' ' 97' ' ' GLU . 60.4 t60 -57.06 -34.21 68.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.491 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 94.8 mt-30 -56.16 -30.37 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.6 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.472 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 128' ' ' GLU . 0.2 OUTLIER -66.96 -37.53 84.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -61.34 -32.06 71.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -91.36 143.67 26.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.577 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' OXT' ' CD ' ' A' ' 131' ' ' LYS . 6.5 tmtt? . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.39 -177.72 51.88 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.1 t -132.91 139.45 47.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.83 135.49 51.14 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -171.48 -153.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.528 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -60.37 155.02 18.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.8 p -111.99 150.97 29.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.598 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -167.16 -95.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.619 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.5 m120 57.16 46.1 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 t -49.86 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.602 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t 42.56 -143.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 t -137.74 138.62 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.537 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.494 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 2.7 m -134.25 110.74 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.619 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 27.3 m-85 -75.99 166.55 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.27 -59.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.136 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.0 m120 -70.8 -26.6 63.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.51 178.13 35.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 28.8 mmm-85 -98.21 148.02 33.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.531 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 14' ' ' TYR . 41.9 Cg_endo -70.25 143.07 47.4 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.805 2.337 . . . . 0.0 112.2 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 p -77.16 -9.6 58.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -117.3 140.04 50.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -137.65 127.65 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.56 -105.06 2.87 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -147.54 -57.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.596 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -95.04 127.4 41.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.68 135.84 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -146.86 140.17 25.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -89.2 136.56 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.94 -59.53 2.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -79.98 125.56 29.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.87 -30.6 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 18.1 tptm -66.18 150.59 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 m-20 57.79 -174.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 13' ' ' THR . 4.4 t30 -51.17 -35.68 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.23 -20.1 0.55 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.5 mt 61.06 -76.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.592 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.2 tp -103.64 126.69 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.31 120.82 42.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' THR . 59.0 ttp180 -76.67 122.52 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.1 mt -107.66 129.67 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -133.58 130.63 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.59 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.569 ' O ' ' N ' ' A' ' 46' ' ' LYS . 54.0 t30 -112.69 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -52.77 -30.2 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HE2' HD22 ' A' ' 42' ' ' ASN . 33.6 ttpt -50.89 -57.0 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.653 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -109.2 -2.59 17.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.658 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER 55.76 34.8 24.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -96.92 122.7 40.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.0 m0 -83.66 143.05 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.63 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.451 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.446 ' CD1' HD21 ' A' ' 37' ' ' LEU . 70.1 m-85 -130.34 139.25 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.584 ' O ' HD12 ' A' ' 37' ' ' LEU . 33.8 t80 -121.73 119.12 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.414 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 58.2 t-20 -81.3 134.68 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.517 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 8.7 p-10 -112.9 -41.62 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.515 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.8 111.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 118' ' ' LEU . 70.9 p -81.26 -5.56 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.472 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.1 tt0 -95.85 -45.74 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 m-85 -114.87 153.16 30.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -92.66 150.68 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.504 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.4 119.99 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.733 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -109.07 123.13 48.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.349 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 50' ' ' TYR . 83.6 t -104.0 133.43 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.718 -178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.51 92.27 2.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.361 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.4 t -112.74 135.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.778 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.7 m -111.51 137.57 49.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.67 166.95 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 29.4 t30 -86.28 152.47 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.603 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -47.46 -43.95 24.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.7 m-20 -81.44 74.0 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 36.3 m -153.65 116.99 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -76.48 81.44 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 71' ' ' ILE . 26.4 pt -125.01 159.96 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.635 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -143.05 164.64 29.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.64 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -94.66 140.54 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.7 mt -102.55 -101.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.89 -151.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -62.47 -0.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.553 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.47 ' H ' ' C ' ' A' ' 75' ' ' GLY . 71.8 m -47.35 114.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -78.74 119.89 22.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 47.4 tp -114.29 129.97 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -153.28 154.88 35.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -107.15 150.14 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.419 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 8.2 mm100 -101.23 179.07 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.13 -41.44 63.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.534 ' ND2' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -58.27 -25.68 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.35 54.96 0.82 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 9.7 mp0 -137.42 150.41 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.646 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -103.49 134.18 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.481 ' O ' HD12 ' A' ' 79' ' ' LEU . 83.5 t -118.97 139.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.543 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.27 106.31 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 p -119.17 145.82 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.9 146.67 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.5 t -105.53 135.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.71 133.03 65.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -89.18 149.13 42.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.413 ' HG3' ' O ' ' A' ' 54' ' ' THR . 75.3 Cg_exo -41.5 -73.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.693 2.262 . . . . 0.0 112.135 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.47 47.5 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 98' ' ' THR . 2.0 tm-20 -158.41 146.98 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.572 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.489 ' N ' ' CD ' ' A' ' 97' ' ' GLU . 4.6 m -131.04 133.58 45.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -127.92 156.8 42.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 91.1 mmm -83.49 145.81 28.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.68 -104.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.749 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -128.07 161.49 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.549 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.6 pp20? -134.78 -178.68 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.86 -159.23 19.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -95.28 143.43 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.45 136.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.6 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -137.76 122.42 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.348 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.75 95.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.5 156.06 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -105.96 126.36 52.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -111.56 134.77 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.55 121.75 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.236 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -128.46 164.8 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.992 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.8 t70 -156.24 169.32 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.306 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.18 97.48 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.739 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.74 151.93 37.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.66 155.79 9.87 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.808 2.339 . . . . 0.0 112.15 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 55' ' ' THR . 22.0 mt -83.98 114.64 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 m -68.43 168.24 13.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.545 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -56.36 -26.79 53.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.64 -35.79 73.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.571 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 35.0 t80 -62.74 -42.9 99.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -55.94 -41.38 74.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.429 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -68.83 -37.58 79.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.575 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -57.7 -32.98 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.456 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.571 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 95.7 mt-30 -58.86 -36.79 75.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.56 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.0 -33.68 76.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -58.96 -35.32 72.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.25 -37.65 81.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.573 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mmt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.81 35.34 45.71 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.5 m -56.42 -35.48 67.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.27 42.3 23.83 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 48.91 -138.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.737 0.303 . . . . 0.0 110.585 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 5' ' ' ALA . 75.7 m 49.08 179.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.7 m -61.38 147.47 44.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.92 -34.74 78.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.518 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -83.81 161.27 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.6 p -151.05 161.01 43.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.2 p -161.26 -141.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -141.05 136.78 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 m -133.05 138.02 46.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -121.95 167.54 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.94 -53.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.633 -178.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 68.0 m-80 -80.77 2.33 26.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.41 169.14 12.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.79 136.52 21.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.516 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -46.66 147.41 4.5 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.834 2.356 . . . . 0.0 112.248 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -79.35 -5.38 54.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -127.39 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -131.94 129.03 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.79 -114.95 3.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -134.86 -60.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -89.82 128.17 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.98 132.97 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -147.11 171.72 14.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.515 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 114.24 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.39 -72.75 0.34 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.78 -152.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.595 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.88 17.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASP . 63.8 mttm -108.92 171.45 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.482 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' LYS . 75.5 m-20 41.29 -164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -57.08 -31.04 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.595 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.37 -23.43 0.58 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt 59.79 -76.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.636 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 50' ' ' TYR . 14.0 tp -107.54 129.15 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -108.94 140.25 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.522 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.66 ' NH1' ' CZ ' ' A' ' 50' ' ' TYR . 4.7 tpm_? -92.18 104.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 mt -98.8 127.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.42 128.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 46' ' ' LYS . 60.0 t30 -107.44 103.03 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -52.95 -30.85 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.659 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -97.48 -3.06 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.633 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.3 mmtm 57.2 35.95 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.71 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -97.04 126.25 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -86.48 140.63 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.601 ' N ' ' NH2' ' A' ' 39' ' ' ARG . . . -140.6 149.73 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.66 ' CZ ' ' NH1' ' A' ' 39' ' ' ARG . 38.7 m-85 -122.93 140.05 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.759 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -128.59 120.06 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.599 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 25.0 t-20 -83.32 115.43 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.731 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 63.9 t0 -78.68 -39.07 37.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.44 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 49.8 p -59.3 165.1 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 p -125.38 5.84 7.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -140.62 3.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.88 129.47 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.684 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 8.2 pt-20 -92.85 131.81 37.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.599 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -92.41 119.94 32.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 -179.042 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.462 ' ND1' HG22 ' A' ' 92' ' ' VAL . 35.8 m-70 -101.96 109.93 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG21 ' CD2' ' A' ' 50' ' ' TYR . 62.2 t -87.99 133.31 30.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.775 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.31 91.74 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.297 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -113.34 137.05 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.793 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.6 m -114.8 134.04 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.302 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.2 m-85 -117.74 160.34 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.735 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.504 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 31.6 t30 -78.18 157.97 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.636 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -49.73 -51.35 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.5 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 55.5 t0 -75.93 76.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 33.8 m -154.02 114.48 3.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.9 t0 -75.93 81.27 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.434 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 71' ' ' ILE . 25.9 pt -124.65 157.89 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -141.77 161.02 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.653 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -90.91 141.24 29.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.475 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.1 mt -103.48 -97.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.35 -150.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.49 1.18 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.447 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.6 m -48.42 116.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.558 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -75.86 121.48 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 88' ' ' VAL . 47.1 tp -116.63 129.63 56.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -152.98 151.9 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.4 HE21 ' HA2' ' A' ' 85' ' ' GLY . 63.5 tt0 -108.64 151.43 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -106.21 168.01 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.61 -37.64 87.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -59.54 -25.04 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.4 ' HA2' HE21 ' A' ' 81' ' ' GLN . . . 99.08 54.14 1.13 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 65' ' ' PHE . 81.0 mm-40 -136.38 140.52 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.491 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -97.97 129.34 44.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.474 ' O ' HD12 ' A' ' 79' ' ' LEU . 82.7 t -115.02 135.16 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.73 103.66 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.4 p -118.53 143.91 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.72 141.71 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.462 HG22 ' ND1' ' A' ' 60' ' ' HIS . 48.6 t -101.34 132.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.99 133.47 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.496 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -92.67 151.88 41.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.61 148.4 93.1 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.793 2.329 . . . . 0.0 112.057 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 t 65.32 22.78 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 125' ' ' HIS . 93.4 mt-10 -147.43 136.37 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.534 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 m -116.09 121.02 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -115.1 161.31 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.0 mmm -85.09 154.61 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.571 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -113.16 -102.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.75 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -129.35 159.38 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.518 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.7 pp20? -132.48 -178.67 5.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.42 -159.53 19.86 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 ttm-85 -94.37 142.32 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.466 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.56 136.7 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.717 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -139.56 121.66 15.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.319 179.766 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.21 98.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -132.94 161.87 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -105.43 122.02 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.347 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 p -100.73 118.61 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -129.67 116.63 19.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.216 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.408 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -132.28 170.3 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.994 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -157.64 173.31 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.08 88.24 2.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.775 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.424 HD12 ' CE1' ' A' ' 60' ' ' HIS . 4.0 mt -95.66 155.08 38.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.447 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.44 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 70.3 Cg_endo -77.1 141.2 20.64 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.758 2.305 . . . . 0.0 112.146 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 122' ' ' TYR . 27.2 mt -42.03 104.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.421 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.0 m -66.55 170.84 5.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.579 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -53.23 -29.69 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.53 -35.03 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.404 ' CE2' HD13 ' A' ' 118' ' ' LEU . 73.6 t80 -58.9 -39.91 82.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.431 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -59.5 -40.73 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.478 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -68.62 -36.68 78.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.519 ' NE2' ' OE2' ' A' ' 97' ' ' GLU . 32.4 t60 -57.23 -25.28 58.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.525 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.11 -20.95 64.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.487 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -92.06 -58.81 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 129' ' ' LYS . 18.8 pt-20 -45.08 -41.55 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 128' ' ' GLU . 16.3 ptmt -75.12 -41.86 57.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.578 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 129' ' ' LYS . 63.8 t0 -68.96 -46.31 68.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.8 tttp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.525 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mmm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.16 32.75 0.6 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.3 t -88.95 124.31 34.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.525 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.98 -175.64 50.92 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.14 151.45 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.564 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -83.28 4.76 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.4 p -61.81 -28.27 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.576 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -58.68 140.85 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -113.94 133.78 55.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -58.36 -43.37 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m 41.99 -146.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.0 135.28 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -123.19 130.83 53.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -102.57 173.28 6.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.515 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.75 -57.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.621 -179.68 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.512 ' N ' HG22 ' A' ' 15' ' ' VAL . 32.9 m120 -65.26 -27.38 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.657 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.07 170.43 31.93 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -95.97 150.85 37.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.07 137.17 19.12 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.8 2.333 . . . . 0.0 112.232 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.43 HG22 ' OG1' ' A' ' 98' ' ' THR . 9.5 t -80.58 0.34 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -129.51 134.97 48.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.68 125.57 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.31 -108.6 3.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -146.77 -58.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -89.94 105.97 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -105.8 142.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.85 171.49 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.494 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -133.94 104.39 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -40.7 -69.6 0.47 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -82.69 117.45 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.61 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.35 -30.77 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -58.71 159.0 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 55.15 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -53.75 -33.1 54.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.85 -25.3 0.56 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 20.2 mt 60.72 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.684 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 35' ' ' GLY . 49.2 tp -110.09 125.35 52.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -110.49 126.56 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.458 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -90.58 115.47 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.672 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -106.83 133.41 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 48' ' ' TRP . 39.7 t -134.31 128.17 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.639 ' O ' ' N ' ' A' ' 46' ' ' LYS . 61.4 t30 -108.79 100.22 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -54.44 -31.8 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.662 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -55.86 -50.87 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.639 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -106.97 -3.11 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.608 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.639 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.02 26.14 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.694 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -99.13 129.97 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CD1' HG13 ' A' ' 41' ' ' VAL . 28.4 m0 -87.21 151.17 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.3 147.56 29.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -125.4 141.0 52.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.718 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -124.1 115.92 21.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.464 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -87.19 131.61 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 54' ' ' THR . 2.6 p30 -107.68 -35.5 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.404 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.12 118.12 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.3 p -90.51 0.49 57.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 64.1 tt0 -104.45 -44.78 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.447 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.39 151.89 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 -179.484 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.22 147.63 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.46 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.65 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 122.71 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -109.89 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.7 132.99 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -142.53 93.41 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.33 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.18 133.45 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.782 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -111.89 135.18 52.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -118.66 164.9 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.499 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.0 t30 -82.76 155.7 24.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.46 -47.58 38.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.88 72.47 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.499 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 33.9 m -154.31 114.36 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.91 82.03 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.3 pt -131.25 159.19 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HZ1' ' CD ' ' A' ' 103' ' ' GLU . 25.1 pttm -142.35 -170.6 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -112.47 140.39 47.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.3 mt -99.93 -100.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.16 -144.38 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.36 -5.0 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.0 m -45.6 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -83.05 122.12 27.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 46.3 tp -114.99 130.13 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -152.19 152.64 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.92 151.35 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -100.96 173.4 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.31 -33.66 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -64.27 -25.55 68.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.561 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.17 56.69 0.78 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -141.67 152.39 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -105.49 138.95 40.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 93.5 t -127.47 136.7 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.09 107.53 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.6 p -116.95 144.91 44.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.1 p -161.85 150.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.469 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.26 134.45 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.35 126.09 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.453 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -85.2 159.55 56.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.25 154.57 73.65 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.779 2.319 . . . . 0.0 112.126 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m 58.83 15.76 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.468 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -136.12 152.62 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' HG22 ' A' ' 20' ' ' THR . 3.1 m -130.33 136.23 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -132.75 158.73 41.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.0 mmm -83.62 152.05 25.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.2 t80 -111.29 -100.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.4 pp -126.5 163.46 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' CD ' ' HZ1' ' A' ' 72' ' ' LYS . 83.4 tt0 -142.98 153.14 42.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.35 -156.88 20.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -95.46 138.07 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.18 136.09 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.783 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -149.6 117.48 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.335 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.1 97.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -146.88 161.85 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -114.89 128.51 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.263 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.3 m -111.76 133.27 54.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -139.32 123.73 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.264 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -130.3 169.43 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.992 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.9 t0 -158.41 171.89 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.304 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -123.84 87.53 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.705 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.71 150.25 53.05 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.7 146.34 48.5 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.872 2.381 . . . . 0.0 112.065 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 122' ' ' TYR . 14.2 mt -67.51 139.37 56.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.459 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.6 t -123.16 -161.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.597 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.2 -32.64 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.71 -39.86 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CZ ' ' NE2' ' A' ' 126' ' ' GLN . 24.6 t80 -68.27 -42.31 79.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -60.02 -41.49 92.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.444 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.53 -37.84 85.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.524 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.6 ' NE2' ' NZ ' ' A' ' 129' ' ' LYS . 29.5 t60 -56.61 -11.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.449 ' NE2' ' CZ ' ' A' ' 122' ' ' TYR . 81.2 mt-30 -90.1 -22.43 21.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 130' ' ' ASP . . . -72.61 -46.19 55.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.458 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.528 ' OE2' ' ND1' ' A' ' 125' ' ' HIS . 22.0 pt-20 -56.67 -30.01 62.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.558 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.6 ' NZ ' ' NE2' ' A' ' 125' ' ' HIS . 64.1 mttm -56.48 -25.35 50.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 127' ' ' ALA . 51.2 p30 -139.67 173.89 11.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.617 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.88 130.91 33.71 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.18 -36.21 82.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 -162.57 22.97 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.7 145.51 11.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 110.533 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 7' ' ' SER . 87.3 p -60.87 -27.73 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 6' ' ' SER . 35.0 m 53.21 168.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.531 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.553 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 50.6 mp0 -60.37 138.15 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.653 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -91.98 3.35 55.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 11' ' ' SER . 86.6 p -61.79 -66.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.595 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' OG ' ' A' ' 10' ' ' SER . 5.8 m 40.23 -161.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.55 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 t -133.24 139.97 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -132.55 152.03 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -129.76 170.55 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.398 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.62 -58.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.569 ' N ' HG22 ' A' ' 15' ' ' VAL . 27.9 m120 -63.92 -28.81 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.629 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.76 171.95 31.63 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -94.3 149.93 37.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.0 138.61 18.52 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.864 2.376 . . . . 0.0 112.2 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -77.7 -13.69 59.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' HZ ' HE21 ' A' ' 47' ' ' GLN . 74.3 t80 -114.92 130.51 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.49 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.57 123.6 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.25 -105.39 2.96 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -148.33 -54.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.553 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -95.2 126.95 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.596 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -118.97 137.09 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.47 135.58 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' CD ' ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -86.57 110.76 20.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.499 -179.749 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.3 -51.15 49.07 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -89.22 131.02 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.585 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.8 16.09 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -117.13 148.89 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 35' ' ' GLY . 60.7 m-20 59.51 -159.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.519 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' C ' ' H ' ' A' ' 36' ' ' LEU . 22.4 m120 -72.08 36.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 72.33 -22.35 0.82 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 34' ' ' ASN . 26.3 mt 60.36 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.569 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.1 tp -104.11 134.59 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -112.23 123.7 50.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -81.12 107.8 14.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.576 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.96 132.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.507 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.85 127.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -105.81 103.48 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.589 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -54.39 -33.48 59.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.688 ' HZ2' ' HG2' ' A' ' 45' ' ' LYS . 21.5 ttpp -45.32 -65.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HG2' ' HZ2' ' A' ' 44' ' ' LYS . 42.4 mmtm -102.48 -1.84 29.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER 55.97 36.78 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.669 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.505 HE21 ' HZ ' ' A' ' 21' ' ' PHE . 13.5 pt20 -98.08 125.94 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -83.28 144.66 29.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.11 152.54 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' CD1' HD21 ' A' ' 37' ' ' LEU . 75.1 m-85 -129.5 139.06 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.757 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -124.23 113.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.468 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 61.0 t-20 -79.82 135.09 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 54' ' ' THR . 22.0 p-10 -109.72 -43.09 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.528 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 16.9 p -57.4 128.96 39.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.9 p -98.89 11.33 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -118.81 -35.22 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.681 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 5.7 m-85 -116.41 144.84 43.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.705 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -92.44 145.45 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.83 119.28 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.06 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 116' ' ' LEU . 50.5 m-70 -107.58 121.14 44.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.335 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.1 t -101.99 133.76 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.1 tp -142.81 91.54 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 130.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.6 m -109.02 136.18 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.16 160.85 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.763 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.9 t30 -82.38 155.39 24.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -48.09 -43.05 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.5 m-20 -78.35 69.86 4.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.513 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.2 m -153.7 115.67 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -78.77 80.08 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.9 pt -127.55 160.86 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.29 -169.76 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -112.25 141.61 45.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.9 mt -102.69 -99.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.65 -141.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -71.97 -6.57 42.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -44.63 116.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -80.09 122.67 27.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 41.4 tp -114.03 129.51 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -151.46 153.3 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -108.48 151.64 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -103.67 168.53 9.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.481 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.53 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -59.21 -25.59 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.83 55.16 0.89 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -141.62 149.65 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.579 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -102.32 138.38 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 88.2 t -124.22 136.35 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.45 105.71 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.2 p -117.69 146.04 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.621 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.86 146.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.52 135.78 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.656 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 t -116.38 129.0 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.457 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -91.32 155.31 44.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -61.61 155.72 51.73 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.28 . . . . 0.0 112.043 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.9 t 59.95 9.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.06 148.56 52.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -128.9 138.19 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -134.93 156.52 48.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.7 mtp -83.62 154.31 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.653 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -109.38 -100.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -133.81 161.41 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.3 pt-20 -137.08 -178.02 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.614 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 -157.46 18.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -95.59 135.59 37.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 0.0 110.425 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.17 129.8 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.457 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 5.6 t30 -134.79 121.1 20.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.321 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.66 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -140.1 163.93 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -127.6 127.36 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.391 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -103.96 135.28 45.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -139.92 122.1 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.217 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -128.23 168.31 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 111.018 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -155.5 173.1 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.298 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.39 88.83 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 60' ' ' HIS . 9.8 mt -90.25 150.3 42.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.97 142.63 31.62 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.834 2.356 . . . . 0.0 112.136 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.91 109.92 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.9 m -80.74 -175.35 5.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.46 -26.59 65.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.413 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.53 -39.32 79.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.468 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -65.44 -40.74 93.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.389 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -57.74 -39.68 77.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -70.2 -36.89 74.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -57.87 -24.99 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.502 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -66.85 -22.49 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 130' ' ' ASP . . . -91.52 -60.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.465 -178.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 129' ' ' LYS . 17.7 pt-20 -44.26 -42.5 6.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.502 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 128' ' ' GLU . 25.2 pttt -71.83 -23.09 61.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 127' ' ' ALA . 61.9 t0 -83.12 119.64 24.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.3 tptt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.584 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.489 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.486 ' O ' ' SG ' ' A' ' 3' ' ' CYS . . . -63.63 141.97 46.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 2' ' ' GLY . 75.8 m -153.95 1.22 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.621 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.3 31.87 45.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 7' ' ' SER . . . -65.85 138.15 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.582 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t 61.34 -3.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.537 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 5' ' ' ALA . 10.0 p -106.04 -6.84 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.619 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 2.8 pp20? -73.61 144.18 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.582 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -88.83 -67.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -117.4 146.58 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.606 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -158.14 -169.38 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 t -135.69 135.03 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.504 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -126.65 138.18 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.644 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -116.13 170.01 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -129.02 -55.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.621 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' N ' HG22 ' A' ' 15' ' ' VAL . 32.3 m120 -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.632 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.21 175.39 25.38 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -86.14 154.59 57.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.59 143.59 63.1 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.859 2.373 . . . . 0.0 112.204 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 m -72.96 -25.37 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -106.58 134.7 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.33 132.73 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.08 -109.57 2.25 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -148.43 -60.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.562 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -92.83 128.01 38.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.08 134.12 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -141.83 134.85 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -77.81 135.07 37.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.61 -59.28 2.39 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -84.7 126.22 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.602 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.2 -20.25 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -73.0 154.94 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 52.61 -170.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -52.86 -36.5 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 162.2 -21.9 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 30.4 mt 60.57 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.566 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.0 tp -104.94 130.44 53.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.46 122.78 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.495 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' THR . 66.1 ttp85 -78.43 107.97 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -97.11 131.93 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.6 129.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.6 t-20 -106.07 101.63 11.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -52.42 -33.55 44.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HZ2' ' HB3' ' A' ' 44' ' ' LYS . 17.2 mtpp -49.41 -70.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 92.9 mttt -92.89 -4.86 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 56.62 38.04 29.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.71 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -100.34 124.17 45.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.478 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.417 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 29.9 m0 -81.27 146.77 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.13 29.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.492 ' CD2' HG21 ' A' ' 61' ' ' VAL . 75.2 m-85 -124.44 136.64 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.592 ' O ' HD12 ' A' ' 37' ' ' LEU . 27.3 t80 -122.69 123.2 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -91.73 125.57 36.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.743 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 54' ' ' THR . 29.5 p-10 -99.4 -35.88 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.527 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -58.23 122.83 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.3 p -96.12 12.86 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -124.32 -14.48 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.603 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 2.7 m-85 -139.89 142.96 36.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.653 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 11.7 pm0 -92.01 147.38 23.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.614 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.07 120.3 35.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.746 -179.551 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.445 ' NE2' HD12 ' A' ' 116' ' ' LEU . 24.1 m-70 -101.98 123.09 45.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.339 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 50' ' ' TYR . 55.2 t -102.81 126.42 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.795 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.6 tp -141.48 91.3 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.307 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -113.05 132.06 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.1 m -109.91 133.26 53.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.377 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -117.46 160.17 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.4 t30 -81.76 156.53 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -47.56 -42.73 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.454 ' C ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -78.6 69.64 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.85 112.39 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.623 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -80.0 77.9 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.3 pt -117.36 155.9 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 103' ' ' GLU . 30.5 ttpt -126.17 166.94 16.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.648 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -104.16 136.67 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -114.35 173.09 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.6 -137.46 1.78 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.08 -3.12 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.524 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.2 m -46.0 120.91 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.74 128.05 34.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 51.1 tp -120.85 130.09 53.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -152.07 153.24 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.515 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -106.92 152.28 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -106.12 168.33 9.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -64.07 -36.99 85.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -59.01 -24.84 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.39 53.59 1.14 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -139.32 151.5 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -103.27 143.39 32.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.476 ' O ' HD12 ' A' ' 79' ' ' LEU . 91.5 t -129.87 131.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.94 107.73 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -120.33 143.57 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.55 138.79 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.407 HG22 ' ND1' ' A' ' 60' ' ' HIS . 66.1 t -97.8 136.11 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.2 t -117.59 130.2 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -90.2 157.15 45.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.47 153.92 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.704 2.269 . . . . 0.0 112.124 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m 58.98 16.42 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -137.84 143.7 41.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.551 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 m -127.42 125.71 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -120.25 164.07 16.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.2 mmm -85.38 154.62 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.641 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -114.91 -103.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.724 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.14 157.47 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 72' ' ' LYS . 83.5 tt0 -135.7 156.08 49.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.33 -160.38 14.32 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -91.29 139.83 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.381 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.2 t -113.35 132.15 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.751 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' GLY . 3.4 t30 -138.76 121.04 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.89 98.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 106' ' ' VAL . 26.5 p90 -146.2 157.14 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.746 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 133.59 55.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.342 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 m -112.02 133.78 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -138.09 121.46 17.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.237 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.7 mtm -130.84 160.98 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.969 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -155.28 170.27 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.29 92.73 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.764 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.445 HD12 ' NE2' ' A' ' 60' ' ' HIS . 21.6 mt -88.81 165.86 25.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.468 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 4.0 Cg_exo -82.48 132.52 6.87 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.915 2.41 . . . . 0.0 112.17 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 mt -54.54 111.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.437 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -83.8 -174.49 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -57.05 -30.42 64.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.44 -38.15 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.492 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 34.1 t80 -62.85 -45.65 91.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.393 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -58.93 -41.75 88.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.506 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.41 -37.78 87.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.602 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -59.09 -41.56 88.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.492 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 96.6 mt-30 -48.74 -21.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.513 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.45 70.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -72.9 -28.3 62.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.542 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -59.07 -39.55 82.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.537 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -164.17 164.43 22.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 39.7 tptt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.545 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.22 -33.15 57.71 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.4 m 45.8 51.25 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.539 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.83 -31.4 54.46 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.21 157.33 44.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -68.68 142.92 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.3 p -75.99 162.84 27.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -92.52 155.3 17.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.602 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 56.46 44.61 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 t -161.12 -27.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.666 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 t -68.93 -159.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.552 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.34 140.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.438 HG23 HD22 ' A' ' 34' ' ' ASN . 14.5 t -133.71 155.65 49.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.651 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 87.0 m-85 -128.08 166.54 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.09 -57.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.6 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.513 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.1 m120 -69.34 -26.13 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.62 -178.66 32.96 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.6 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 25.5 mmm-85 -105.06 139.78 20.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.514 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -47.07 145.45 7.41 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.827 2.351 . . . . 0.0 112.206 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.2 m -75.79 -32.29 59.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -91.58 138.61 31.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 158.79 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.53 -129.01 1.12 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -144.88 -66.58 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -88.09 127.63 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -122.79 131.55 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.81 143.5 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -83.77 135.16 34.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.68 -58.52 3.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -86.76 134.54 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.62 -4.83 57.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -102.65 160.42 14.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.474 ' CB ' HD21 ' A' ' 36' ' ' LEU . 79.7 m-20 57.01 -162.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.482 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 36' ' ' LEU . 56.2 t-20 -78.68 43.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.561 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.25 -28.24 0.82 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 34' ' ' ASN . 29.0 mt 61.65 -77.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.8 tp -103.88 131.22 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -109.4 128.88 55.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -82.71 111.56 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.61 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -97.14 128.04 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.506 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.61 129.44 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.598 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.82 101.66 10.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -55.19 -31.46 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.74 -65.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -91.88 -5.82 52.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.28 39.39 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -108.91 126.91 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.484 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 35.4 m0 -84.32 148.21 26.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.39 150.16 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' CD1' HD21 ' A' ' 37' ' ' LEU . 58.9 m-85 -128.02 140.32 52.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.724 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . 25.9 t80 -126.46 123.83 38.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.449 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -87.06 114.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD2' ' OD1' ' A' ' 16' ' ' ASN . 21.9 t70 -86.72 -36.2 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.8 p -62.14 133.36 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.559 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 p -103.42 8.03 38.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.564 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -111.34 -42.26 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.2 149.67 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.4 pt-20 -92.05 148.46 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.459 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.22 121.32 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.716 -179.228 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.406 ' CE1' HD12 ' A' ' 116' ' ' LEU . 41.4 m-70 -110.71 118.15 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.363 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.58 133.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.78 91.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.347 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.45 132.37 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -109.93 132.3 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.418 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -115.76 159.77 20.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.693 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 9.1 t-20 -79.06 157.03 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -49.49 -50.9 39.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.556 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 53.9 p30 -73.22 72.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.566 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 31.5 m -153.84 114.86 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.618 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.1 t0 -75.18 82.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.466 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.3 pt -127.47 161.02 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 9.6 ttpp -148.25 160.21 43.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -86.35 153.61 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 103' ' ' GLU . 96.6 mt -112.64 -104.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 77' ' ' THR . . . -109.48 135.14 12.67 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -178.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 66.31 -55.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 110.488 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' GLY . 92.0 m -46.93 121.76 3.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -93.83 127.58 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 60.4 tp -110.19 132.35 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -150.77 146.3 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.49 152.63 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -107.54 169.54 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -58.53 -25.15 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.631 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.42 53.97 1.11 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -137.6 144.24 41.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.588 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -99.57 137.8 37.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.2 t -123.83 132.76 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.95 107.87 5.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.474 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -118.31 145.42 45.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -161.17 138.54 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.62 132.0 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.8 t -113.52 133.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.478 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -95.5 153.01 39.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.47 154.46 24.47 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.784 2.323 . . . . 0.0 112.064 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m 54.65 21.31 3.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -138.74 155.26 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -138.96 120.23 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -113.21 165.78 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.408 ' HB2' ' H ' ' A' ' 75' ' ' GLY . 86.7 mmm -86.59 148.53 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -110.38 -103.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -129.72 162.56 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.551 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.509 ' CD ' HD21 ' A' ' 74' ' ' LEU . 22.2 pt-20 -134.94 -178.72 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.17 -160.65 20.71 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 70' ' ' ASP . 73.2 ttt-85 -95.15 142.39 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.431 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.484 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.2 t -124.27 135.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -148.41 117.58 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.3 p90 -152.93 155.36 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -105.43 133.2 50.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.292 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.2 m -114.06 135.61 53.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -136.97 116.85 13.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.224 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -125.42 162.56 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.017 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 38.1 t0 -158.27 171.57 19.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.299 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.05 88.8 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.406 HD12 ' CE1' ' A' ' 60' ' ' HIS . 13.7 mt -86.55 161.89 46.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.451 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 12.6 Cg_exo -70.94 152.92 63.64 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.811 2.341 . . . . 0.0 112.162 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 mt -79.69 109.85 14.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.516 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.1 m -74.67 176.36 7.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -55.02 -30.65 59.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -54.68 -38.11 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.46 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 28.5 t80 -62.2 -43.11 99.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.56 -40.51 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.451 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -69.56 -36.2 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.525 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 43.6 t60 -59.09 -13.52 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.467 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.46 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 91.8 mt-30 -83.02 -17.75 42.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.39 -47.56 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.497 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' A' ' 128' ' ' GLU . 1.4 pp20? -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.562 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -65.4 -29.25 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -142.74 -79.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 53.9 tttp . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.595 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ptt? . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.15 -45.98 0.46 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -58.22 -34.82 70.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.836 0.35 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.65 90.43 0.11 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.79 -28.95 70.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.823 0.344 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 7' ' ' SER . 28.3 t 50.59 -174.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.489 ' N ' ' OG ' ' A' ' 6' ' ' SER . 11.0 p 44.35 73.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.32 -32.01 72.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.533 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 55.99 44.7 25.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 p -70.44 159.89 33.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.8 m -148.02 163.75 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.59 138.52 52.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.5 t -137.34 144.47 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.695 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -132.22 158.36 41.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.492 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.93 -58.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.614 -179.142 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.9 m120 -64.3 -26.84 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.634 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 166.62 158.47 11.22 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.606 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -89.94 154.2 47.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.505 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -76.69 132.58 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.836 2.357 . . . . 0.0 112.222 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -67.59 -30.75 70.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.515 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' O ' HD13 ' A' ' 40' ' ' ILE . 65.9 t80 -105.66 130.93 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.45 126.72 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA2' HD22 ' A' ' 42' ' ' ASN . . . -106.77 -111.85 3.62 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -142.85 -59.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.305 . . . . 0.0 110.641 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -84.92 110.11 18.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -110.76 145.81 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.619 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.37 171.61 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -127.52 101.65 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.05 -68.66 0.6 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -74.75 129.48 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.581 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -86.07 7.21 25.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -104.68 157.78 16.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 57.0 -171.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 34' ' ' ASN . 2.4 m120 -50.79 -32.94 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.63 -23.92 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 22.4 mt 61.38 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.592 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' GLY . 58.7 tp -108.16 126.73 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -112.37 126.04 54.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -87.63 126.34 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' PHE . 19.2 mt -114.84 128.21 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.46 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 48' ' ' TRP . 44.2 t -131.13 127.99 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -106.97 102.8 12.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.8 -29.9 55.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -69.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -90.62 -4.22 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 55.35 34.68 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -103.14 126.59 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.3 m0 -83.98 145.58 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.6 152.73 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.97 143.22 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.784 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 17' ' ' GLY . 64.5 t80 -125.76 128.71 48.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.592 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 20.3 t-20 -95.44 139.01 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.624 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 54' ' ' THR . 28.1 p-10 -113.44 -40.58 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.576 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.28 117.47 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.471 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 43.3 p -90.73 7.87 37.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -120.61 -19.86 7.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.64 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -134.26 141.52 47.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.649 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.597 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.5 pm0 -91.63 145.73 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.46 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.592 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -95.98 116.92 29.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.531 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.478 ' CE1' HD12 ' A' ' 116' ' ' LEU . 22.0 m-70 -95.03 126.55 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.375 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.61 129.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.778 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.7 tp -142.55 91.76 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.331 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.18 134.5 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.0 m -110.86 138.27 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.394 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.97 166.33 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.702 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 9.0 t-20 -84.34 156.71 21.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -49.23 -51.71 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 48.0 p30 -74.81 74.98 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 35.4 m -153.55 114.45 4.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.88 80.7 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -123.45 153.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 72' ' ' LYS . 14.3 mtpp -130.03 175.25 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.666 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -109.23 135.67 49.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.497 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' GLY . 75.5 mt -101.36 -98.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.17 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -63.3 2.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 75' ' ' GLY . 97.8 m -49.93 116.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -77.78 120.43 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 88' ' ' VAL . 44.4 tp -115.21 130.58 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -155.43 156.85 36.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.33 151.27 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -104.05 168.36 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.12 -35.25 80.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -60.9 -25.46 66.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.99 56.62 0.88 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -143.97 150.03 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.66 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -103.87 136.5 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.472 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.9 t -122.4 139.67 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.5 103.22 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.0 p -114.69 144.07 44.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.75 143.25 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.481 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.431 HG22 ' ND1' ' A' ' 60' ' ' HIS . 59.3 t -99.5 135.53 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -112.96 130.32 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -94.63 151.01 38.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.31 149.71 89.74 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.792 2.328 . . . . 0.0 112.184 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 t 63.6 20.06 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.576 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 95.5 mt-10 -146.56 134.08 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.528 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 m -111.93 135.15 52.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -128.5 157.49 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.3 mtp -82.66 154.41 24.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.5 -101.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.738 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -131.53 160.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.5 pt-20 -133.81 -177.62 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.81 -157.98 20.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.95 146.91 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 110.439 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -132.96 137.64 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.6 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -139.71 122.38 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.328 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.5 97.96 0.01 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -138.54 157.76 45.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' H ' ' HD2' ' A' ' 110' ' ' LYS . 2.4 mptp? -108.17 130.42 55.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.357 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 m -114.44 132.54 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -137.43 126.24 24.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.211 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.415 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -135.33 166.4 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 7.2 t70 -156.33 169.9 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -120.98 93.33 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.748 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' A' ' 60' ' ' HIS . 7.6 mt -91.96 151.49 42.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.472 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 132.95 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.861 2.374 . . . . 0.0 112.158 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.48 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.6 mt -51.65 114.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.402 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.7 m -83.65 -171.54 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.55 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.96 -31.74 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -54.98 -41.02 70.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.51 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.36 -40.9 98.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -58.73 -43.15 90.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.95 -39.17 76.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.576 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 20.5 t60 -53.02 -49.11 66.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.497 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.583 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.62 -37.49 86.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.491 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.77 -34.88 78.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.94 -31.63 68.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 131' ' ' LYS . 47.4 t0 58.75 155.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 15.7 ptpt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.563 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.91 139.04 42.39 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -139.64 142.44 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.72 22.42 59.92 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 6' ' ' SER . . . -147.45 155.56 42.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.59 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 7' ' ' SER . 11.6 t 54.77 163.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 6' ' ' SER . 44.1 t 51.6 172.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -117.69 139.47 50.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' SER . 18.7 m120 57.06 41.83 26.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' ASN . 37.2 m 42.01 94.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.5 m -163.29 -145.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.522 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 t -140.3 135.88 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -126.12 134.15 51.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD ' ' A' ' 19' ' ' PRO . 52.1 m-85 -112.9 174.28 5.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.401 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.519 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.53 -57.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.615 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.5 m120 -67.24 -27.29 67.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.95 171.41 30.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -92.76 148.87 36.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.562 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CE2' ' A' ' 14' ' ' TYR . 52.1 Cg_endo -71.23 137.69 31.74 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.821 2.347 . . . . 0.0 112.243 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -75.07 -10.81 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -120.61 137.71 54.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.92 126.11 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 -105.17 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -146.42 -57.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -94.95 128.14 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -122.16 135.39 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.14 131.72 30.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -85.76 118.65 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -79.65 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -83.24 122.02 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.603 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.18 -28.83 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -63.87 156.45 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.466 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.468 ' CB ' HD21 ' A' ' 36' ' ' LEU . 44.1 m-20 60.97 -159.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -82.03 20.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 99.39 -21.55 44.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 33' ' ' ASP . 27.5 mt 60.24 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 110.598 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.1 tp -112.22 133.68 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.626 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -104.72 127.69 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -85.56 97.87 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -87.8 131.19 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.506 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 48' ' ' TRP . 46.4 t -135.91 126.11 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 12.5 t-20 -104.81 100.74 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -54.14 -29.54 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.79 -70.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.4 mttp -90.8 -4.19 56.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 56.28 32.89 21.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -100.09 124.16 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.44 ' CD1' HG13 ' A' ' 41' ' ' VAL . 40.2 m0 -84.74 145.43 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.77 151.02 39.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.421 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 37' ' ' LEU . 62.0 m-85 -127.56 138.5 52.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.732 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' O ' HD12 ' A' ' 37' ' ' LEU . 36.8 t80 -121.59 120.3 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -87.81 132.59 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 54' ' ' THR . 25.5 p-10 -109.31 -38.18 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.4 p -57.55 123.57 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.519 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 72.7 p -96.95 9.69 41.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.676 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.519 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -123.11 -15.31 7.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.83 146.43 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.14 146.46 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.36 118.33 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 -179.462 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 116' ' ' LEU . 50.5 m-70 -106.26 121.03 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.329 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.6 t -104.85 133.11 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.791 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 tp -142.57 92.07 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.33 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 134.56 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.2 m -112.51 135.47 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -118.87 163.82 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.683 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.9 t30 -80.9 155.75 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.587 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -49.34 -46.21 46.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.47 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-20 -77.69 72.25 4.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.3 114.66 4.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -75.59 81.8 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.14 161.83 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 -173.22 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -113.11 137.27 51.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 75' ' ' GLY . 71.2 mt -99.99 -97.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.52 -148.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -69.46 0.75 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 110.485 -179.672 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.2 m -49.16 119.18 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -80.99 121.85 26.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 53.4 tp -116.25 129.48 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -152.06 152.91 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.414 HE21 ' HA2' ' A' ' 85' ' ' GLY . 63.3 tt0 -108.25 150.97 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -106.02 167.0 10.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.82 -36.67 81.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -61.43 -25.31 67.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.414 ' HA2' HE21 ' A' ' 81' ' ' GLN . . . 98.85 54.39 1.13 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 65' ' ' PHE . 80.7 mm-40 -135.63 141.58 45.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 110.673 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -98.32 131.96 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.475 ' O ' HD12 ' A' ' 79' ' ' LEU . 86.6 t -119.77 133.89 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.44 104.29 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -116.47 144.57 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.4 142.01 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.54 133.56 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.94 129.92 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.39 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -90.8 157.58 43.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.497 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.82 154.14 75.15 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.718 2.279 . . . . 0.0 112.066 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.2 m 60.0 17.33 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.566 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 95.2 mt-10 -143.23 145.92 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.494 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -124.77 138.85 54.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -132.57 158.32 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.683 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.7 mtp -83.26 154.56 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.56 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.93 -101.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -128.14 159.7 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.4 tt0 -138.38 153.23 48.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 127.3 -160.09 21.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -92.76 137.12 32.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.44 136.48 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.736 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.8 OUTLIER -140.01 121.75 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.263 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.56 97.88 0.01 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -137.18 155.63 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.695 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -106.4 125.14 50.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.362 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -109.21 136.93 47.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -136.61 118.17 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 79.0 mtm -125.03 171.09 10.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.6 t0 -166.59 172.62 10.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.35 87.44 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.715 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 60' ' ' HIS . 10.7 mt -86.46 150.66 51.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.09 149.51 58.55 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.794 2.329 . . . . 0.0 112.161 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.98 119.7 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.386 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.7 m -86.67 -177.38 6.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.48 -26.02 64.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.75 -41.72 87.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.486 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.487 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 35.5 t80 -66.65 -40.99 88.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.441 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -55.92 -39.95 72.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.508 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -71.15 -35.51 71.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.62 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.566 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 14.5 t60 -59.99 -27.15 66.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.497 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.487 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 97.0 mt-30 -62.93 -34.42 77.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.7 -61.96 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.579 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -62.43 -14.03 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -46.79 -43.92 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.6 p30 -100.29 170.31 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.638 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.602 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mtp . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.87 31.96 46.92 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.97 -39.12 74.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.558 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.98 79.18 0.08 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.06 67.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.39 . . . . 0.0 110.618 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -81.71 11.86 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.549 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -54.5 -34.44 61.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -57.12 129.56 42.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -71.54 -36.89 71.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.7 m -64.94 148.04 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.611 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.1 t 177.83 13.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' H ' ' H ' ' A' ' 11' ' ' SER . 2.9 t -146.03 138.54 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.482 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -137.43 134.8 36.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.677 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -117.99 160.98 20.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.446 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.83 -57.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.7 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.517 ' N ' HG22 ' A' ' 15' ' ' VAL . 29.6 m120 -71.12 -24.57 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.645 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.51 170.73 24.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -100.35 133.25 21.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -46.73 147.47 4.56 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.773 2.316 . . . . 0.0 112.235 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -78.69 -7.47 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -122.62 136.15 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.83 127.62 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.505 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.28 3.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -146.34 -58.3 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.377 . . . . 0.0 110.644 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -94.46 129.47 41.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -118.49 137.66 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -144.26 133.39 22.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.681 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -89.21 138.42 31.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.42 -71.95 1.14 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -74.92 136.16 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.612 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -93.49 55.51 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -144.99 144.89 31.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.2 t0 62.99 -138.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.505 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 80.8 m-20 -86.57 10.03 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.83 -23.26 32.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt 60.47 -75.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.642 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 61.1 tp -100.81 131.1 46.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.06 131.69 55.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.476 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 27' ' ' THR . 57.7 ttp180 -89.84 103.34 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -91.16 129.37 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.56 127.35 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 61.2 t30 -105.9 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -54.61 -32.21 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.82 -70.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -94.56 -3.82 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 58.34 32.82 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -97.27 129.99 44.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.486 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -85.42 141.31 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -138.28 144.13 40.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.357 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' HG21 ' A' ' 61' ' ' VAL . 52.1 m-85 -122.16 136.42 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.74 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -125.14 123.79 40.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -87.47 114.88 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.78 -39.22 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.497 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 p -58.73 129.19 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.8 p -102.61 17.55 23.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -128.79 -17.34 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.648 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -135.87 145.99 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.593 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.3 pm0 -91.87 136.67 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -87.98 116.82 26.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.624 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.457 ' NE2' HD12 ' A' ' 116' ' ' LEU . 25.6 m-70 -95.5 130.08 42.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.424 HG21 ' CD2' ' A' ' 50' ' ' TYR . 74.2 t -106.96 127.33 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.9 tp -143.31 92.8 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.32 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.82 133.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.6 m -108.96 138.92 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -122.18 164.2 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.734 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.9 t30 -85.89 155.43 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.62 -44.93 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 90.7 m-20 -76.99 69.73 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.489 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.8 m -153.89 112.37 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.14 81.78 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.44 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.3 pt -123.0 159.66 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 47.3 tttp -134.99 164.24 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -97.76 142.32 29.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt -119.69 166.89 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.51 -132.58 15.54 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -93.88 -7.53 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 110.533 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -44.38 124.21 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.506 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -85.88 130.02 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 43.0 tp -121.21 128.91 52.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -151.05 148.63 28.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -103.59 148.82 25.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -101.54 169.32 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -65.22 -37.65 87.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -57.54 -24.7 57.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.593 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.55 51.63 1.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -138.84 151.9 47.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.555 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -103.55 140.49 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.2 t -124.39 133.46 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.14 106.72 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.0 p -119.94 144.39 47.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -161.89 137.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.475 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.422 HG22 ' ND1' ' A' ' 60' ' ' HIS . 90.5 t -94.13 136.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.8 t -116.8 127.5 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -90.03 153.72 47.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.92 151.5 64.86 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.687 2.258 . . . . 0.0 112.123 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 32.3 m 58.41 32.73 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.442 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 99' ' ' GLU . 62.4 tt0 -149.34 155.64 40.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -138.37 118.46 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 73.3 mm-40 -115.16 163.69 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.658 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 87.5 mmm -83.78 154.41 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -117.4 -100.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -130.9 156.78 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -132.92 -177.4 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.54 -156.0 20.22 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -96.86 144.69 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.494 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.62 137.52 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.739 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -144.6 119.31 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.33 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.39 101.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -144.04 158.63 43.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.781 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.5 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -106.81 127.88 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.28 179.163 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -112.84 135.94 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -141.94 124.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.261 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -135.4 165.08 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.7 t70 -155.7 169.24 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.334 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.89 93.54 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.757 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.457 HD12 ' NE2' ' A' ' 60' ' ' HIS . 5.8 mt -90.98 151.72 43.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.483 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.471 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 134.12 17.46 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.839 2.359 . . . . 0.0 112.101 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.542 HD23 ' OE1' ' A' ' 58' ' ' GLU . 13.9 mt -54.33 121.04 7.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.0 m -95.14 -163.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.52 ' O ' ' NE2' ' A' ' 124' ' ' GLN . 23.0 pt-20 -62.93 -33.13 74.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.73 -39.33 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -64.29 -40.71 96.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -59.96 -41.74 92.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.462 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.557 ' OE1' ' N ' ' A' ' 124' ' ' GLN . 1.2 mp0 -69.07 -36.9 78.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.543 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -57.27 -30.79 64.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.479 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -95.23 -27.88 15.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.78 90.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.478 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -61.71 -38.44 87.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -62.43 -26.33 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 56.7 t0 57.89 74.31 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.547 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 44.2 pttt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.527 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.34 19.3 64.71 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 p -151.25 159.5 44.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.694 0.283 . . . . 0.0 110.592 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.85 -25.36 0.08 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.85 33.94 23.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 7' ' ' SER . 56.5 p -70.5 163.24 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.582 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' SER . 41.0 m 54.61 164.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.578 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -102.97 166.02 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -143.8 177.36 8.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.1 p -68.92 159.44 32.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.632 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 m -165.15 -155.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 t -141.13 136.18 33.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -126.96 139.08 53.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.661 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -108.19 163.71 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.545 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.18 -52.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.4 ' N ' HG22 ' A' ' 15' ' ' VAL . 28.0 m120 -80.78 2.3 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.646 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.65 165.28 11.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -93.46 137.97 23.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.479 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -44.33 148.52 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -74.73 -28.18 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -94.09 141.61 28.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.55 158.19 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.71 -143.03 3.57 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -139.05 -66.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -76.84 112.68 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.622 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.35 130.87 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 t -146.48 159.47 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 44.3 pttt -97.54 134.27 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.2 -66.5 2.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -80.18 146.19 31.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.549 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -87.72 8.93 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -98.35 157.26 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 50.38 -169.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.519 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.92 -33.48 50.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.569 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 157.52 -18.42 0.37 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 33.0 mt 60.29 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.829 0.347 . . . . 0.0 110.621 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.0 tp -105.34 130.59 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -110.85 129.45 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.466 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -89.06 103.28 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.3 mt -95.37 125.81 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.65 132.44 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 30.1 t30 -110.1 102.07 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -55.51 -29.7 59.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HZ2' ' HG3' ' A' ' 45' ' ' LYS . 23.9 ttpp -53.83 -54.34 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -107.0 -2.07 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER 55.67 28.81 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -97.34 124.84 41.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.478 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -82.55 147.82 28.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.2 146.32 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.47 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.449 ' CD2' HG21 ' A' ' 61' ' ' VAL . 37.7 m-85 -124.36 139.62 53.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.749 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -127.78 128.48 45.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.3 t-20 -94.34 124.68 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 54' ' ' THR . 30.4 p-10 -96.48 -37.78 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.557 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.91 118.75 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -88.42 2.42 52.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.659 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.6 tt0 -109.18 -43.97 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -115.49 146.08 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.639 -179.607 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.618 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.9 pm0 -92.16 149.05 21.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.608 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -97.21 117.81 32.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.329 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.49 ' NE2' HD12 ' A' ' 116' ' ' LEU . 20.8 m-70 -97.33 126.65 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.359 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.449 HG21 ' CD2' ' A' ' 50' ' ' TYR . 54.8 t -102.4 130.44 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.6 tp -142.83 91.45 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.32 130.0 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -107.92 134.85 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.402 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -118.26 165.59 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.695 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 41.3 t30 -80.53 154.96 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.584 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -47.55 -49.81 25.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.7 t70 -78.33 78.81 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.9 m -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' ARG . 66.1 m-20 -77.85 81.08 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.408 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.5 ttmt -129.48 163.44 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -103.08 131.93 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 103' ' ' GLU . 19.5 mt -109.98 169.6 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.625 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.8 -137.54 1.85 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -84.98 -2.6 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.509 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -45.11 113.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.541 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -82.57 122.5 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.503 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 56.0 tp -117.18 130.47 56.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -152.9 155.04 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.497 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -105.56 151.8 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -103.96 168.03 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -65.09 -36.41 84.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -61.49 -25.64 67.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.29 59.24 0.8 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -144.47 151.95 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.334 . . . . 0.0 110.635 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -104.0 139.33 39.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.505 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 89.9 t -127.72 134.4 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.32 105.34 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.498 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -116.52 144.66 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.69 147.26 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.482 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.445 HG22 ' CE1' ' A' ' 60' ' ' HIS . 92.2 t -101.96 134.77 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.3 t -112.85 128.91 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.486 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -92.48 153.16 42.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.525 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 19.0 Cg_endo -58.73 161.17 15.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.742 2.295 . . . . 0.0 112.094 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 11.5 p 43.5 28.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.584 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 94.4 mt-10 -148.79 129.18 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -108.41 136.76 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.509 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -128.37 164.16 23.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.94 155.45 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -118.21 -103.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.718 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.64 155.74 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 72' ' ' LYS . 82.1 tt0 -133.78 158.14 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' N ' ' CG ' ' A' ' 103' ' ' GLU . . . 118.01 -160.41 13.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ASP . 61.8 ttt180 -92.58 141.58 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 110.426 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -124.08 136.99 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.73 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -148.84 117.87 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.05 99.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CD1' HG12 ' A' ' 106' ' ' VAL . 30.1 p90 -152.59 156.84 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.736 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -110.01 135.58 50.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.327 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -114.47 134.35 55.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -139.59 126.0 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.303 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -132.68 171.72 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -163.33 171.83 15.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.426 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.16 94.62 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.738 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.49 HD12 ' NE2' ' A' ' 60' ' ' HIS . 6.2 mt -92.19 152.1 42.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.456 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 59.0 Cg_endo -73.8 132.0 16.55 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.84 2.36 . . . . 0.0 112.134 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.431 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 15.7 mt -52.63 115.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.9 m -85.63 -171.01 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.679 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -62.49 -26.8 68.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.486 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 20.2 pt-20 -58.26 -41.64 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.506 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 46.3 t80 -66.39 -42.17 88.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.443 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -56.22 -42.79 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.453 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -69.22 -37.49 78.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.577 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.584 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 26.0 t60 -56.03 -29.39 60.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.465 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.506 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 91.7 mt-30 -63.77 -21.36 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.62 63.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.512 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.523 ' OE2' ' CE1' ' A' ' 125' ' ' HIS . 8.9 pt-20 -67.07 -30.14 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.571 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.504 ' NZ ' ' CB ' ' A' ' 129' ' ' LYS . 8.2 mtmp? -79.85 -101.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -135.46 31.1 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.583 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.92 -178.46 52.41 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.3 m -58.17 -39.89 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.585 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.05 8.24 82.44 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.28 117.52 23.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -63.93 -30.7 71.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m -78.47 153.6 31.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.52 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -136.25 99.93 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' SER . 54.4 t30 -57.98 -38.29 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m 54.24 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' ASN . 43.0 m -64.14 170.99 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.0 t -133.52 136.32 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -124.96 127.99 47.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -100.44 166.03 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.07 -60.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.624 -179.097 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.588 ' N ' HG22 ' A' ' 15' ' ' VAL . 23.0 m120 -64.16 -27.28 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.97 162.61 17.7 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -91.43 150.29 41.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.509 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.13 137.76 35.13 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -74.78 -4.62 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -128.67 138.93 52.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.55 127.17 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.601 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.95 -111.14 3.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -145.89 -60.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.556 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.17 116.81 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.71 135.97 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 172.27 13.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -119.45 98.4 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.51 -71.2 0.28 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -75.75 134.5 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -88.74 5.2 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 20.3 tptp -102.57 150.11 23.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 35' ' ' GLY . 73.8 m-20 58.36 -162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 36' ' ' LEU . 19.5 t-20 -71.37 40.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.583 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.32 -21.47 1.1 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 34' ' ' ASN . 46.9 mt 60.53 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.665 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.2 tp -103.46 135.43 45.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.634 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.23 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -89.66 99.92 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.2 mt -89.57 131.7 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -133.7 127.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.44 104.52 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.17 -32.43 66.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -50.18 -55.71 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 30.4 mmtp -107.12 -5.08 18.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 57.71 31.1 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.715 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -98.06 124.53 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.8 m0 -82.1 144.8 30.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.6 145.94 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.417 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.487 ' CD1' HD21 ' A' ' 37' ' ' LEU . 68.9 m-85 -122.68 138.18 54.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.716 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' HD12 ' A' ' 37' ' ' LEU . 56.8 t80 -122.5 128.94 51.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.462 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -95.7 120.29 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.632 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 54' ' ' THR . 20.3 p-10 -86.91 -37.43 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.503 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 36.1 p -57.31 165.41 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.8 p -128.69 7.02 5.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' CG ' ' CE2' ' A' ' 57' ' ' TYR . 9.3 pt20 -139.95 2.77 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 80.8 m-85 -126.18 130.8 51.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 6.6 pt-20 -91.68 133.68 35.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.496 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.24 123.74 35.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 -178.688 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.437 ' ND1' HG22 ' A' ' 92' ' ' VAL . 41.9 m-70 -109.75 118.17 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -98.86 132.2 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.75 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.0 tp -142.43 93.13 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.334 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.94 135.24 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -108.25 140.88 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.32 166.33 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.7 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.7 t30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.8 -51.62 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 86.3 m-20 -78.85 79.19 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.1 m -153.96 114.52 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.9 t0 -76.73 81.55 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -122.54 156.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 103' ' ' GLU . 15.1 ttmt -130.55 162.83 28.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -101.93 132.75 47.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.61 172.22 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.18 -138.57 1.8 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.8 5.93 47.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.51 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -49.75 121.06 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -79.97 126.48 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 49.4 tp -121.98 129.16 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -153.01 148.0 26.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -102.52 150.9 22.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -104.99 169.04 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -64.79 -38.01 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -56.93 -24.57 53.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.98 52.91 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -140.43 151.0 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.57 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -104.27 132.89 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.507 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.495 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.3 t -113.85 135.76 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.72 110.42 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.6 p -124.5 145.42 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.8 142.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.437 HG22 ' ND1' ' A' ' 60' ' ' HIS . 33.6 t -101.14 134.45 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.77 130.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.45 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.63 151.9 41.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.536 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.07 152.51 79.18 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.811 2.34 . . . . 0.0 112.038 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.6 t 61.0 28.04 17.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -156.02 156.06 33.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 m -128.29 137.76 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -128.49 158.37 38.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mmm -87.2 155.1 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.585 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 17.8 t80 -116.38 -103.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -122.07 161.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.4 tt0 -141.83 154.64 45.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.7 -156.51 16.57 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 37.6 ttm180 -96.6 141.65 29.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 110.523 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.436 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.2 t -128.18 137.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.801 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.595 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 0.8 OUTLIER -137.37 122.27 18.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.47 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.73 156.44 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.767 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -108.54 129.26 55.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.275 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -110.91 135.53 51.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -137.17 125.87 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.246 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -133.33 167.25 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.972 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 37.1 t0 -153.31 172.31 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.517 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.97 88.98 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.729 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 60' ' ' HIS . 2.2 mt -95.84 157.14 36.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.488 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.431 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 74.1 Cg_endo -78.19 139.79 17.13 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.899 2.399 . . . . 0.0 112.131 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 122' ' ' TYR . 29.0 mt -41.35 102.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.445 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 171.14 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.98 -30.09 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.396 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -59.39 -36.14 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.467 ' CE2' HD13 ' A' ' 118' ' ' LEU . 62.2 t80 -56.84 -46.5 81.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -60.77 -46.0 92.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.452 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -63.8 -35.71 81.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.92 ' CE1' ' HZ3' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -57.19 -41.74 79.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 179.716 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 130' ' ' ASP . 94.1 mt-30 -49.64 -18.58 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.557 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.31 69.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.437 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.514 ' OE1' ' ND1' ' A' ' 125' ' ' HIS . 7.9 pt-20 -73.73 -41.9 61.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 -178.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.92 ' HZ3' ' CE1' ' A' ' 125' ' ' HIS . 0.6 OUTLIER -89.46 -35.59 15.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.61 -179.52 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 126' ' ' GLN . 78.2 m-20 -106.2 154.31 20.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.621 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.581 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 ttp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.09 151.69 50.35 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -57.64 -36.41 71.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.12 71.35 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' GLU . . . 48.41 36.0 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -57.2 -32.81 66.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.513 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.1 m -56.22 -36.22 68.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 5' ' ' ALA . 84.7 tt0 -137.62 129.12 28.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -167.97 153.96 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.567 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.4 p -61.62 -28.42 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t 71.06 16.1 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 t -146.28 136.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.565 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.544 ' HB ' HD22 ' A' ' 34' ' ' ASN . 4.2 m -129.18 143.08 50.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.667 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -115.93 164.39 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.44 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.18 -51.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 -179.127 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.4 ' N ' HG22 ' A' ' 15' ' ' VAL . 26.2 m120 -80.82 0.76 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.3 160.36 10.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -95.37 144.74 28.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.56 149.95 45.67 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.778 2.319 . . . . 0.0 112.198 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -82.68 -16.96 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 80.1 t80 -111.35 147.51 34.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.784 HG22 ' H ' ' A' ' 23' ' ' GLY . 10.6 p -134.05 176.78 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.784 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -160.18 -109.55 0.25 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -150.91 -60.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.603 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -89.58 110.45 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.6 135.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -135.94 171.34 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 31' ' ' GLU . 11.9 pttp -117.06 96.18 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -38.89 -66.9 0.61 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -81.39 118.79 22.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 0.0 110.61 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 78.0 mm-40 -68.94 -31.68 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.0 158.3 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 55.06 -172.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.454 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.544 HD22 ' HB ' ' A' ' 13' ' ' THR . 0.4 OUTLIER -54.46 -35.56 63.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 -179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.52 -23.14 0.35 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt 60.78 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.339 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.5 tp -113.13 127.76 56.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -109.67 125.36 52.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.533 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -79.57 127.74 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.5 mt -113.21 129.49 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.476 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.405 HG13 ' CD1' ' A' ' 48' ' ' TRP . 38.7 t -133.42 127.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.7 t-20 -108.76 101.91 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -53.71 -31.88 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.626 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HE2' HD21 ' A' ' 42' ' ' ASN . 45.2 mtmt -52.88 -66.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.604 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 57.1 mmtt -94.44 -11.09 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 63.34 30.8 15.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 -179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.42 HE21 ' HZ ' ' A' ' 21' ' ' PHE . 17.0 pt20 -96.77 127.51 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.405 ' CD1' HG13 ' A' ' 41' ' ' VAL . 38.3 m0 -88.65 145.23 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.37 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -122.35 139.17 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.775 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.597 ' O ' HD12 ' A' ' 37' ' ' LEU . 36.3 t80 -123.64 121.18 34.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -86.06 115.43 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.668 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -88.73 -37.85 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.461 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 p -58.59 125.39 23.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.1 p -99.81 16.79 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -130.02 -15.62 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -134.3 148.59 50.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -93.22 144.01 25.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.98 125.81 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.698 -179.188 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -112.61 125.7 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.2 t -109.16 132.1 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.819 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' NZ ' ' A' ' 112' ' ' LYS . 23.3 tp -144.09 92.77 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.317 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 65' ' ' PHE . 31.1 t -112.14 132.71 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.749 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -105.2 141.08 37.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.337 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CZ ' ' CG1' ' A' ' 63' ' ' VAL . 19.4 m-85 -126.93 163.5 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.474 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.8 t30 -89.93 152.39 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.561 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -43.07 -45.46 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 61.7 t0 -68.98 81.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.2 p -164.73 138.08 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.57 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -100.55 51.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 pt -100.17 157.49 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.619 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.22 -170.33 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -111.16 139.77 46.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.2 mt -100.95 -100.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.67 -140.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.83 -3.93 25.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 110.465 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -45.28 116.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -77.89 123.16 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 57.1 tp -117.32 130.97 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -156.0 147.59 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -103.14 150.71 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.632 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -107.88 170.94 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.542 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.82 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -56.79 -24.62 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.3 44.23 2.4 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -131.01 153.19 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.336 . . . . 0.0 110.578 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -105.36 132.0 52.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.482 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.0 t -108.46 128.62 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.99 101.88 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.6 p -119.46 144.23 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.644 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -162.21 142.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.444 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.33 132.95 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 t -114.72 130.72 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -90.87 156.37 44.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.456 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.49 153.06 69.03 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.723 2.282 . . . . 0.0 112.098 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.6 m 61.46 19.65 10.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.543 ' OE2' ' NE2' ' A' ' 125' ' ' HIS . 94.1 mt-10 -143.45 146.89 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -126.64 125.42 41.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -118.85 155.84 30.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.4 mtp -80.85 154.29 27.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -112.98 -95.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.533 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.3 pp -133.63 163.9 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.585 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.3 tt0 -142.75 156.15 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.54 -154.98 18.75 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -96.93 135.27 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.11 136.11 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.743 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 2.6 p-10 -147.02 116.98 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.351 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 54.65 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -155.55 161.73 40.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -115.27 132.54 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.352 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -115.23 134.21 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' NZ ' HD23 ' A' ' 62' ' ' LEU . 18.0 ttpp -134.94 110.49 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 178.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -118.21 162.05 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -154.86 173.43 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.349 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.473 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.07 88.43 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.64 151.15 47.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.6 139.46 37.36 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.813 2.342 . . . . 0.0 112.138 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CE2' ' A' ' 122' ' ' TYR . 58.1 mt -45.7 98.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.48 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.0 m -65.08 169.25 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.02 -28.48 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.4 -35.56 76.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.476 ' CE2' HD13 ' A' ' 118' ' ' LEU . 56.4 t80 -59.38 -41.78 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.429 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -58.8 -40.69 84.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.426 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.47 -36.83 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.543 ' NE2' ' OE2' ' A' ' 97' ' ' GLU . 21.6 t60 -58.88 -21.6 57.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -75.56 -26.96 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 130' ' ' ASP . . . -81.06 -57.31 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.517 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -46.76 -38.59 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.504 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -86.83 -6.74 58.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 127' ' ' ALA . 85.6 m-20 55.1 45.66 25.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.408 ' OXT' ' O ' ' A' ' 130' ' ' ASP . 80.8 tttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 mmt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . 80.07 26.86 54.59 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m 54.99 6.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 2' ' ' GLY . . . -169.67 117.92 0.74 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.14 143.77 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 t -58.85 -34.01 71.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -102.94 143.6 32.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -145.08 158.9 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -79.27 170.63 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -148.4 161.63 41.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 t -151.28 172.46 15.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.15 137.6 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.468 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 m -131.25 129.85 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.658 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -108.98 168.81 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.498 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -135.46 -57.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.521 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.1 m120 -67.32 -27.61 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.79 170.32 28.54 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -89.36 149.26 42.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.48 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.28 135.92 23.39 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.808 2.339 . . . . 0.0 112.17 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 m -65.69 -32.02 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.6 138.65 42.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.16 133.84 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.52 -116.89 3.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -136.91 -61.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.586 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.63 128.01 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.72 137.82 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -133.45 171.38 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.409 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.0 95.45 5.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.41 -66.68 0.91 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -80.7 127.41 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -74.52 -18.33 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -76.7 156.64 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 53.72 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -54.03 -35.53 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.36 -19.48 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt 61.22 -78.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.65 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.9 tp -106.98 131.51 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -109.01 125.18 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -81.02 101.72 9.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -89.73 130.52 38.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 48' ' ' TRP . 57.3 t -136.08 128.36 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.597 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -105.18 102.13 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -53.27 -32.26 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.68 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -52.49 -68.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 65.1 mmtt -93.82 -6.47 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 58.65 32.85 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.2 pt20 -96.65 121.39 38.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.471 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.41 ' CD1' HG13 ' A' ' 41' ' ' VAL . 35.3 m0 -82.1 145.64 30.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.89 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.463 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CD1' HD21 ' A' ' 37' ' ' LEU . 62.1 m-85 -126.29 138.1 53.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.771 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.52 ' O ' HD12 ' A' ' 37' ' ' LEU . 35.5 t80 -120.05 116.82 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.481 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -84.92 124.22 31.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 54' ' ' THR . 16.0 p-10 -103.82 -36.54 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.524 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.5 p -60.72 115.51 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.3 p -85.68 -4.91 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.2 tt0 -100.26 -43.97 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.462 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.2 m-85 -114.49 146.72 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.624 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.7 pm0 -91.55 146.73 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.447 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.11 119.57 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.727 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.491 ' NE2' HD12 ' A' ' 116' ' ' LEU . 28.4 m-70 -103.02 123.03 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.373 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' A' ' 50' ' ' TYR . 49.4 t -103.74 127.05 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.7 tp -142.3 91.55 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.375 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -114.83 132.43 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.808 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -109.63 135.68 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.393 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.07 161.09 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.734 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.0 t30 -84.15 160.52 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.585 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.72 -45.68 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.585 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 59.5 t0 -73.11 67.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 24.3 m -154.28 107.25 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.05 78.55 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.504 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.43 162.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.22 -170.77 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -111.62 139.82 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.529 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' GLY . 94.3 mt -100.04 -97.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.601 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.99 -140.42 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -2.31 26.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.533 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -47.41 120.47 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -82.5 121.47 26.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 44.1 tp -113.84 129.66 56.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -151.97 148.07 27.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -104.51 150.14 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -103.5 169.18 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -65.05 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -56.85 -24.52 52.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.11 51.6 1.24 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -139.31 151.23 46.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.57 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -104.65 141.9 35.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.8 t -126.83 135.4 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.596 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 106.35 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.1 p -117.29 143.02 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -162.32 141.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.491 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.96 134.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -114.34 129.73 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -93.34 151.94 40.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.33 152.49 66.56 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.732 2.288 . . . . 0.0 112.077 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.9 m 65.05 8.68 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.541 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -136.89 143.42 42.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.38 136.94 54.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -130.96 159.07 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.9 mmm -83.62 150.99 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -106.41 -101.14 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.743 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -129.53 161.95 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.8 tt0 -137.22 157.07 47.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.69 -163.61 15.07 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -88.77 140.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.707 0.289 . . . . 0.0 110.523 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.22 135.65 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 6.3 p-10 -147.29 118.35 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.354 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 53.62 102.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -148.89 159.09 44.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.787 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -106.8 129.5 54.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.377 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.8 m -117.39 133.33 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -137.93 123.15 19.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.231 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.1 mtm -129.36 163.85 24.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.953 0.406 . . . . 0.0 110.983 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 32.3 t0 -156.07 170.43 22.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 93.25 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.771 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.491 HD12 ' NE2' ' A' ' 60' ' ' HIS . 5.5 mt -90.1 151.36 44.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.4 Cg_endo -74.73 131.22 14.37 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.774 2.316 . . . . 0.0 112.154 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.468 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 14.9 mt -52.33 105.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.8 m -81.71 -177.8 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -54.73 -28.85 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.469 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -38.6 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.465 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.458 ' CE2' ' OE1' ' A' ' 126' ' ' GLN . 31.9 t80 -64.24 -40.88 96.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.366 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -55.86 -39.83 72.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.405 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -64.0 -37.1 86.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 51.8 t60 -64.28 -16.48 62.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.486 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.458 ' OE1' ' CE2' ' A' ' 122' ' ' TYR . 36.9 mt-30 -89.72 -30.3 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.538 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.85 86.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.488 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.39 -38.81 88.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.566 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.402 ' HZ2' ' HB3' ' A' ' 129' ' ' LYS . 15.1 mtpp -63.37 -33.09 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.516 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -70.88 146.84 49.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.604 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.43 -118.04 11.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m 64.39 4.7 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.566 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.6 141.17 47.6 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 43.69 -127.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.725 0.298 . . . . 0.0 110.598 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -61.4 153.61 26.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.4 p -159.06 -21.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.522 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 43.19 -109.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 9' ' ' ASN . 25.6 p30 -136.1 141.9 44.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 11' ' ' SER . 20.8 t -62.46 -33.87 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.598 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 10' ' ' SER . 38.3 m 49.86 179.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 t -140.32 137.96 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.465 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -130.16 134.13 47.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.66 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -114.85 171.07 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.458 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.561 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -58.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.658 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.561 ' N ' HG22 ' A' ' 15' ' ' VAL . 26.4 m120 -64.05 -28.39 69.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 -178.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.1 170.65 30.34 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -91.72 149.74 39.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.04 136.41 24.74 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.843 2.362 . . . . 0.0 112.166 179.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -74.22 -11.83 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.522 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' HD13 ' A' ' 40' ' ' ILE . 65.5 t80 -124.58 129.23 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.57 125.82 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.53 -107.38 3.21 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -143.81 -56.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -90.25 120.91 31.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.576 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -122.55 140.29 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -136.17 172.58 12.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -127.41 96.92 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -37.35 -69.1 0.32 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.34 129.74 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.615 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.64 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 10.7 pm0 -81.54 -5.56 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.622 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -89.93 154.44 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' CB ' HD21 ' A' ' 36' ' ' LEU . 64.0 m-20 59.02 -158.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.524 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 36' ' ' LEU . 21.2 m120 -81.28 41.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 75.05 -32.15 1.09 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.597 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 34' ' ' ASN . 24.5 mt 61.99 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' GLY . 50.1 tp -99.25 128.92 45.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.646 -179.508 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -112.67 136.87 51.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -99.31 101.31 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.444 HD13 ' O ' ' A' ' 21' ' ' PHE . 13.1 mt -92.33 130.45 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.526 -179.497 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.2 t -131.5 127.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -107.53 105.62 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.483 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.16 -27.8 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.635 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' HZ1' ' HG2' ' A' ' 45' ' ' LYS . 25.5 ttpp -51.74 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.689 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' ' HZ1' ' A' ' 44' ' ' LYS . 64.5 mmtt -106.35 0.2 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.62 179.271 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.5 mmtm 56.16 32.34 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 13.1 pt20 -96.21 127.23 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.431 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 33.6 m0 -86.19 142.63 28.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB2' ' CE ' ' A' ' 100' ' ' MET . . . -140.31 147.64 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.433 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.99 135.86 53.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -118.09 121.3 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.2 t-20 -91.32 134.12 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.667 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 54' ' ' THR . 24.2 p-10 -108.53 -38.02 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.429 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.533 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 9.1 p -58.53 118.82 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.5 p -88.03 -9.98 51.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.658 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.6 tt0 -94.41 -45.17 7.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -113.56 151.15 32.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.672 -179.57 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.22 150.47 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 178.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.95 119.8 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.43 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.408 ' ND1' HG22 ' A' ' 92' ' ' VAL . 44.5 m-70 -103.74 128.52 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.37 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.9 t -108.02 130.03 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 tp -142.2 92.64 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.2 t -115.85 132.84 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.4 m -110.59 135.38 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.336 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -118.59 156.28 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.875 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.1 t30 -79.86 159.23 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -48.91 -41.15 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.566 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.8 t70 -79.79 70.4 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 26.8 m -154.21 113.4 3.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.78 78.2 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.424 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -120.4 156.39 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -137.88 160.49 39.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.597 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -89.83 138.81 31.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.507 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.1 mt -103.94 -98.59 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.212 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.09 -148.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -69.21 -2.89 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 0.0 110.472 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -46.36 117.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 -179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.11 123.65 27.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 88' ' ' VAL . 43.8 tp -117.54 129.89 56.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.687 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.71 154.21 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -107.88 150.71 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -103.98 168.93 8.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -37.06 86.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -58.49 -24.83 61.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.638 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.11 54.43 1.03 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -141.02 152.55 44.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 110.634 178.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -105.71 139.64 39.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.5 t -124.76 137.52 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.31 105.63 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -117.86 144.09 45.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -178.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.35 143.29 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.479 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' ND1' ' A' ' 60' ' ' HIS . 47.7 t -99.53 137.25 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.22 130.93 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -90.63 160.36 39.01 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.513 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.52 158.3 57.76 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.779 2.319 . . . . 0.0 112.117 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.3 t 55.87 13.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -135.97 151.14 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 m -129.24 135.04 48.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -129.06 163.29 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -86.52 155.24 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.926 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -114.48 -96.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.057 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.725 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -135.79 159.35 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -133.78 157.95 44.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 122.68 -161.44 16.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -94.77 139.34 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.44 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.431 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 2.6 t -122.62 135.3 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 5.4 p-10 -144.74 118.96 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.347 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.61 100.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.412 ' CD1' HG12 ' A' ' 106' ' ' VAL . 29.5 p90 -146.15 159.58 43.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.178 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -106.03 128.03 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.338 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -112.46 135.11 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -141.56 124.94 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.172 178.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -134.35 169.25 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.954 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.5 t0 -165.39 172.94 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.344 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.13 89.49 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.11 151.25 42.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.491 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.09 161.72 0.96 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.836 2.357 . . . . 0.0 112.155 178.043 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.98 108.33 16.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.2 m -67.17 170.0 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -54.45 -29.11 48.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -54.85 -38.69 67.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.497 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.424 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 37.9 t80 -63.04 -41.78 99.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.705 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -57.13 -41.76 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.449 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.66 -38.04 73.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.626 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -55.0 -28.01 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.539 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.424 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 91.5 mt-30 -62.53 -27.23 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.609 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.95 -60.3 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -68.23 -21.4 64.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.521 ' NZ ' ' OXT' ' A' ' 131' ' ' LYS . 13.1 ttpp -49.54 -37.66 27.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 55.5 t0 52.56 92.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.521 ' OXT' ' NZ ' ' A' ' 129' ' ' LYS . 12.1 ttmm . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.635 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.38 15.57 68.6 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.5 t -85.6 111.03 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.98 -169.07 45.55 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 -12.45 32.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 7' ' ' SER . 1.3 m 68.77 102.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' SER . 28.8 t 51.8 172.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -159.79 67.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -58.43 -38.39 77.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t -149.63 150.59 32.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -146.73 18.96 1.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -145.78 135.56 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.601 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.507 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 4.0 m -127.34 144.06 51.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.721 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -114.86 161.68 17.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.08 -51.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.221 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 26.6 m120 -81.8 2.83 28.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -178.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.15 162.96 11.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -91.92 139.21 24.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.476 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.85 142.75 4.89 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.818 2.345 . . . . 0.0 112.191 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -73.24 -30.0 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 179.067 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 89.4 t80 -94.15 141.27 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -109.62 160.55 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.86 -133.97 1.59 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -136.68 -71.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.609 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -82.35 128.03 33.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.37 134.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -138.98 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.08 139.86 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -71.86 1.1 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -83.29 124.11 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.643 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.36 -26.7 63.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -59.67 154.54 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 35.2 t0 62.83 -145.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 14.7 t30 -93.83 6.23 49.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.14 -20.53 10.53 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 28.2 mt 58.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.8 tp -106.37 129.19 54.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -107.38 123.74 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.531 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.0 ttp180 -80.54 122.78 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -109.52 130.85 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.516 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.32 129.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -105.13 100.93 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.544 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.67 -25.84 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.701 -179.109 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HZ2' ' HZ2' ' A' ' 45' ' ' LYS . 22.3 ttpp -56.51 -66.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.623 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HZ2' ' HZ2' ' A' ' 44' ' ' LYS . 34.6 mmtm -102.14 -1.6 31.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.596 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 42' ' ' ASN . 6.9 mmmt 55.53 38.44 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.705 -179.601 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.3 pt20 -97.3 124.81 41.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.455 179.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.426 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 40.1 m0 -81.08 142.7 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.11 34.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.41 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.479 ' CD2' HG21 ' A' ' 61' ' ' VAL . 70.2 m-85 -124.44 134.07 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -179.621 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . 51.8 t80 -120.12 125.78 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 179.433 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.0 t-20 -91.07 130.04 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.265 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 54' ' ' THR . 26.6 p-10 -101.53 -37.97 8.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.542 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.9 p -58.21 118.3 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.475 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 71.9 p -90.68 11.49 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -125.42 -14.61 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.655 -179.871 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.3 m-85 -136.78 142.35 42.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.649 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 12.6 pm0 -91.95 149.31 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.617 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -97.68 121.84 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.714 -179.573 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' NE2' HD12 ' A' ' 116' ' ' LEU . 23.1 m-70 -103.05 126.15 50.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 50' ' ' TYR . 54.2 t -106.36 128.14 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -142.55 91.69 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.314 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.9 t -114.58 131.58 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -110.01 133.57 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.91 163.9 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t30 -81.86 154.83 25.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -47.18 -49.34 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.6 73.39 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.8 m -154.33 115.92 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ARG . 16.3 t70 -78.18 80.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.465 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.1 pt -122.81 156.26 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.556 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.3 mtpt -128.95 166.92 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -104.79 135.93 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 mt -113.23 173.45 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.93 -139.17 2.17 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.01 4.26 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -50.77 122.52 7.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -81.98 129.25 34.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 45.0 tp -124.3 128.57 49.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -147.92 157.7 43.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -98.52 151.0 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -96.96 175.03 6.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.51 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -74.59 -36.16 63.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.611 HD22 ' CD ' ' A' ' 86' ' ' GLU . 45.3 p-10 -77.76 0.73 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.63 68.36 1.42 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.611 ' CD ' HD22 ' A' ' 84' ' ' ASN . 97.2 mt-10 -144.74 156.21 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.607 178.618 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -111.15 136.93 49.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.506 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.6 t -127.64 137.19 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.64 109.53 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.511 179.456 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.1 p -119.47 141.83 48.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.65 139.21 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.512 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.426 HG22 ' ND1' ' A' ' 60' ' ' HIS . 84.8 t -95.34 135.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.72 135.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.437 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -99.22 152.62 37.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.57 145.0 99.58 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 0.0 111.982 -178.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 6.9 m 62.07 23.24 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 93.2 mt-10 -144.04 125.35 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -106.31 126.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -119.63 160.21 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.0 mmm -83.98 153.77 23.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.66 -103.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.538 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.717 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.66 156.1 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 6.0 tm-20 -135.53 158.15 45.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.09 -158.84 14.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASP . 72.6 ttt-85 -92.99 140.65 29.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.5 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.493 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.2 t -124.77 136.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -149.18 116.49 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.55 100.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.493 ' CD1' HG12 ' A' ' 106' ' ' VAL . 24.2 p90 -153.06 158.44 41.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.761 -179.448 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -108.98 134.08 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -116.15 134.23 55.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -178.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -137.0 124.64 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.206 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.9 mtm -131.53 169.31 16.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.989 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.4 t0 -164.9 170.65 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.304 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.74 91.49 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.756 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' NE2' ' A' ' 60' ' ' HIS . 22.1 mt -87.31 166.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.512 -179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 3.0 Cg_exo -83.6 134.18 6.41 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.783 2.322 . . . . 0.0 112.049 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.431 HD22 ' CG ' ' A' ' 122' ' ' TYR . 15.6 mt -55.4 121.19 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.411 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -94.48 -162.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -64.87 -30.86 71.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.92 -53.4 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.431 ' CG ' HD22 ' A' ' 118' ' ' LEU . 43.1 t80 -56.13 -43.74 78.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -58.28 -44.03 88.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -71.56 -38.28 70.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.622 ' CE1' ' NZ ' ' A' ' 129' ' ' LYS . 24.5 t60 -51.43 -50.54 59.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -65.46 -35.73 81.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.531 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.494 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.22 -30.19 70.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.622 ' NZ ' ' CE1' ' A' ' 125' ' ' HIS . 32.7 mttp -78.73 -3.32 43.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.581 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 55.55 44.95 25.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 58.4 tttp . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.566 -179.935 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.33 147.94 44.88 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 5' ' ' ALA . 19.8 t -61.55 -33.31 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.706 0.289 . . . . 0.0 110.559 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 33.79 0.89 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 3' ' ' CYS . . . -62.47 -30.53 71.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.532 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -117.38 148.04 42.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 t -91.43 145.97 24.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.52 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 2.6 pm0 -103.25 162.43 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' OD1' ' OG ' ' A' ' 11' ' ' SER . 47.9 p-10 -79.93 152.77 29.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.1 p -62.66 -27.14 69.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.587 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.434 ' OG ' ' OD1' ' A' ' 9' ' ' ASN . 48.8 m 46.76 -169.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 t -134.19 143.11 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -132.21 149.72 52.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -130.98 170.8 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.1 -57.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.596 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.513 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.7 m120 -66.35 -27.75 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.657 -179.007 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.23 170.71 29.53 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -91.47 149.54 39.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.545 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -70.98 133.66 23.79 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.82 2.346 . . . . 0.0 112.226 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p -71.25 -16.43 62.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.6 145.6 45.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.783 HG22 ' H ' ' A' ' 23' ' ' GLY . 7.5 p -137.6 176.17 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.783 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -160.8 -109.46 0.25 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -149.4 -61.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -88.84 110.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.459 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.2 t -109.94 138.21 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -138.54 166.16 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -121.47 107.87 12.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.25 -70.01 0.52 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -87.13 121.63 29.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.622 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.52 -27.04 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.593 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -68.85 161.95 27.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.516 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.524 ' CB ' HD21 ' A' ' 36' ' ' LEU . 69.4 m-20 58.47 -161.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.445 HD22 ' CG1' ' A' ' 15' ' ' VAL . 43.2 p-10 -79.56 18.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.69 -26.52 24.16 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 33' ' ' ASP . 22.4 mt 62.54 -68.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.0 tp -122.31 133.42 54.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.18 130.71 54.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.3 ttp180 -88.86 109.48 20.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.612 179.485 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -97.84 134.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.522 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 48' ' ' TRP . 43.5 t -137.23 123.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.0 t-20 -104.88 103.79 13.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -56.37 -31.67 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.683 -179.47 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -52.83 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -95.13 -2.4 50.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 54.79 33.81 20.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.706 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -101.02 127.59 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 34.0 m0 -87.23 143.94 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.74 154.01 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' HD21 ' A' ' 37' ' ' LEU . 50.6 m-85 -129.38 141.39 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.731 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.571 ' O ' HD12 ' A' ' 37' ' ' LEU . 48.0 t80 -124.47 125.31 44.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -99.3 127.51 45.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 54' ' ' THR . 2.4 p30 -102.8 -33.31 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.537 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 8.9 p -57.22 118.2 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.501 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 69.7 p -97.06 18.19 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.602 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.93 -16.1 4.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.669 179.798 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.5 149.99 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.46 145.28 24.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 178.808 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.05 124.55 37.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.076 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -112.67 123.24 49.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.395 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.9 t -107.1 131.97 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.74 92.71 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -113.73 134.11 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -109.28 134.59 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.34 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.6 m-85 -117.54 163.29 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.777 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.4 t30 -84.81 153.1 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -47.51 -44.97 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.4 m-20 -78.13 71.24 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.55 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 34.8 m -153.86 116.08 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' ARG . 47.8 t0 -76.81 80.42 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 pt -123.26 158.33 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.557 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -142.75 161.27 38.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -91.56 141.66 28.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.537 HD21 ' CD ' ' A' ' 103' ' ' GLU . 96.2 mt -102.52 -98.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.399 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.73 -146.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -1.84 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.539 -179.46 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.7 m -45.96 114.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -77.14 118.41 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 59.7 tp -113.68 127.85 56.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -151.67 148.63 28.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.51 147.28 26.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -98.82 171.7 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 84' ' ' ASN . 3.1 pp20? -68.78 -32.98 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.484 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 17.1 p30 -61.87 -25.2 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.24 51.82 1.04 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.431 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.19 153.0 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.655 179.057 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -104.94 142.25 35.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.427 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.6 t -126.73 134.36 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.32 105.39 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.11 141.78 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.38 143.93 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 179.477 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -104.67 132.14 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.5 128.92 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -89.16 158.7 46.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.535 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 26.0 Cg_exo -62.02 167.85 9.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.813 2.342 . . . . 0.0 112.031 -179.574 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 14.3 p 41.56 21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 95' ' ' PRO . 67.4 mm-40 -138.74 150.17 45.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -129.27 137.69 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.47 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -133.53 159.6 39.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.8 mmm -83.95 151.23 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.585 179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CG ' HG23 ' A' ' 102' ' ' ILE . 17.1 t80 -110.36 -101.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.744 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.8 pp -130.62 160.98 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.137 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.537 ' CD ' HD21 ' A' ' 74' ' ' LEU . 22.7 pt-20 -132.36 -178.33 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.41 -161.29 20.57 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 36.6 ttm180 -95.76 142.4 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.45 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 2.9 t -124.83 135.44 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -147.15 118.67 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 56.37 102.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -153.73 155.35 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.776 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -106.12 131.62 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.0 m -113.14 136.54 52.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -142.89 122.59 13.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.31 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -130.28 172.95 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 110.957 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.2 t0 -160.82 172.81 16.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.288 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.93 87.9 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.716 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 mt -88.72 151.65 47.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.09 139.17 35.1 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.809 2.339 . . . . 0.0 112.116 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD13 ' CE2' ' A' ' 122' ' ' TYR . 63.6 mt -46.41 104.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.2 m -73.99 -175.71 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.564 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -59.56 -31.55 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -57.25 -37.76 72.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.464 ' CE2' HD13 ' A' ' 118' ' ' LEU . 54.7 t80 -60.98 -40.95 95.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -58.29 -41.95 85.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.26 -37.63 78.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -56.01 -33.85 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.577 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -92.39 -29.82 16.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 130' ' ' ASP . . . -64.94 -38.21 90.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 128' ' ' GLU . 1.6 pp20? -65.4 -35.51 81.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.52 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 131' ' ' LYS . 9.6 mtpm? -61.14 -27.67 68.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.524 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 127' ' ' ALA . 89.4 m-20 51.03 -87.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 129' ' ' LYS . 35.4 mmtm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.571 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' C ' ' SD ' ' A' ' 1' ' ' MET . 7.4 tmm? . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . 84.01 -164.8 41.01 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -68.84 7.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 2' ' ' GLY . . . 83.15 23.75 53.99 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.91 69.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 0.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 56.27 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -67.85 162.1 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -141.78 161.52 37.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -79.81 157.26 27.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.9 p -134.64 154.87 51.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -96.29 -140.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.598 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.8 139.81 50.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 t -136.79 147.91 46.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -131.84 165.83 22.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.373 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.622 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.9 -62.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.179 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.622 ' N ' HG22 ' A' ' 15' ' ' VAL . 28.7 m120 -60.9 -29.21 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.654 -179.437 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 169.05 165.17 25.99 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' N ' ' NE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -94.19 154.41 40.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.512 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.83 132.21 12.86 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.863 2.375 . . . . 0.0 112.215 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m -65.6 -30.61 71.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.54 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.601 ' HZ ' HE21 ' A' ' 47' ' ' GLN . 68.6 t80 -109.27 136.41 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.78 125.19 40.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.624 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.14 -111.93 3.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 1.1 pp20? -143.82 -38.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.635 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -102.27 126.7 49.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -133.91 131.01 56.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.7 t -148.37 144.25 27.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 179.167 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 17.3 pttp -87.89 132.73 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -68.08 1.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -88.77 127.41 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 0.0 110.689 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.03 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -64.8 143.34 58.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.44 ' CB ' HD21 ' A' ' 36' ' ' LEU . 3.0 m-20 70.22 179.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 35' ' ' GLY . 16.0 p30 -51.65 -32.36 29.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 153.89 -18.34 0.65 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 17.7 mt 62.76 -66.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.583 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.2 tp -130.37 133.87 46.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.03 135.41 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.496 179.206 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -88.86 103.93 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 21' ' ' PHE . 14.5 mt -94.72 120.64 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 48' ' ' TRP . 48.7 t -128.59 130.57 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.168 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -111.09 101.61 10.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -53.99 -33.24 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.724 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -49.93 -68.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.672 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -92.1 -3.55 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.2 mmtp 55.46 32.42 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.601 HE21 ' HZ ' ' A' ' 21' ' ' PHE . 16.3 pt20 -100.67 127.53 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.446 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CD1' HG13 ' A' ' 41' ' ' VAL . 28.4 m0 -86.46 147.62 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.39 149.46 33.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.624 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CD1' HD21 ' A' ' 37' ' ' LEU . 59.6 m-85 -124.05 142.49 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.664 ' O ' HD12 ' A' ' 37' ' ' LEU . 59.4 t80 -125.09 123.43 39.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -95.22 132.95 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 54' ' ' THR . 3.9 p30 -110.9 -29.02 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.397 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.559 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -62.55 119.2 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.54 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.2 p -95.33 14.36 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -128.69 -13.89 4.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.8 m-85 -135.97 147.35 48.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.714 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.3 pt-20 -92.73 146.11 23.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -94.15 119.82 33.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.299 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.453 ' CD2' HD12 ' A' ' 116' ' ' LEU . 52.3 m-70 -110.01 119.68 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.295 178.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -102.98 133.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.752 -178.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp -141.91 91.64 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.088 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -112.41 131.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.121 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.4 m -109.3 133.45 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.349 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -117.02 156.92 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -179.809 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.7 t30 -79.01 156.18 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.548 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.04 -44.2 30.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -77.02 70.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 35.5 m -153.89 114.05 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -79.28 77.86 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 pt -119.44 155.84 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.636 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -135.56 164.23 28.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.63 -179.547 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -95.76 139.03 32.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.502 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.6 mt -102.66 -102.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -58.12 -151.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.382 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -59.18 -4.21 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.524 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 75' ' ' GLY . 63.4 m -45.09 109.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.59 -179.69 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -77.85 119.95 22.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 55.0 tp -113.63 131.08 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.648 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -152.95 150.88 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -108.21 152.59 24.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.684 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -107.83 169.29 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.09 -37.39 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -58.37 -24.91 61.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.59 53.66 1.2 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.94 146.33 40.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.599 179.054 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.38 140.01 36.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 79' ' ' LEU . 90.5 t -126.42 133.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.92 103.15 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -114.66 146.03 41.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 p -162.07 152.27 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.521 179.513 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.3 t -111.66 136.45 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.638 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.2 t -117.28 131.69 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -91.27 157.73 42.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.35 154.93 68.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.797 2.331 . . . . 0.0 112.023 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 18.0 t 56.45 25.85 10.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.472 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.419 ' OE1' ' CE1' ' A' ' 125' ' ' HIS . 63.8 tt0 -147.01 156.36 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.536 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.8 m -132.25 135.14 46.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -129.76 154.74 46.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.656 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.8 mtp -80.95 153.56 27.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -112.17 -101.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.217 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.731 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -128.13 161.35 36.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -137.07 157.42 46.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.621 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.84 -161.37 14.32 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -91.82 136.69 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.534 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.1 t -110.55 128.89 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.6 t30 -135.93 120.39 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.18 99.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.534 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.7 p90 -145.8 152.41 39.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.794 -179.347 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 15.3 mtpp -108.73 133.36 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.339 179.175 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -111.29 134.76 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -178.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -139.92 113.89 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.288 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.419 ' SD ' HD23 ' A' ' 37' ' ' LEU . 79.3 mtm -119.97 168.58 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.024 -178.846 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -162.48 171.65 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.386 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.12 88.63 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 60' ' ' HIS . 22.4 mt -86.27 165.15 35.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 4.7 Cg_exo -79.19 151.18 23.29 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.794 2.329 . . . . 0.0 112.137 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.42 119.49 20.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.1 m -88.98 -175.48 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.594 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 120' ' ' GLU . 1.8 pp20? -58.59 -29.41 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.85 -41.46 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.574 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 22.1 t80 -64.73 -41.39 95.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -55.92 -38.83 70.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.466 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -69.42 -38.99 78.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.578 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.419 ' CE1' ' OE1' ' A' ' 97' ' ' GLU . 35.7 t60 -57.06 -33.23 67.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.574 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 97.0 mt-30 -57.94 -37.9 74.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.512 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' LYS . . . -64.0 -36.49 84.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.483 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.92 -37.53 87.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.534 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.0 -38.28 85.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.506 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 131' ' ' LYS . 1.0 OUTLIER -93.4 -53.72 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 18.6 tptm . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.615 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.709 0.29 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.35 -58.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' VAL . 81.7 m-20 -64.57 -26.19 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.13 160.44 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -90.09 149.38 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.549 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.05 137.37 37.37 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.77 2.313 . . . . 0.0 112.236 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 p -78.7 0.89 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -131.89 139.16 48.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.34 126.67 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.72 -109.93 3.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -141.01 -58.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -93.82 127.42 39.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -122.18 134.4 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.02 158.55 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 20.8 pttp -104.41 132.35 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.548 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.33 -65.6 2.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -79.45 132.45 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -88.72 49.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.587 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -149.64 143.62 25.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 68.95 -170.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.442 HD22 HG11 ' A' ' 15' ' ' VAL . 82.5 m-20 -50.88 -31.57 17.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 148.98 -19.47 1.23 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 61.11 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.604 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.9 tp -119.25 128.99 54.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.622 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.19 124.26 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -80.38 117.41 21.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.632 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.01 128.89 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 48' ' ' TRP . 44.0 t -132.96 129.13 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.532 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.7 t-20 -107.14 102.5 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.537 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.75 -31.42 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -56.0 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 63.0 mttp -87.6 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 42' ' ' ASN . 2.4 mmtp 55.81 31.74 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -102.45 128.29 49.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.479 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.432 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 33.5 m0 -83.63 153.35 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.08 143.89 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.437 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.37 138.51 54.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' O ' HD12 ' A' ' 37' ' ' LEU . 27.6 t80 -122.29 124.21 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.482 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.59 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.5 t-20 -88.81 124.85 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.535 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 27.9 t70 -96.72 -47.54 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.496 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.449 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 11.3 p -56.96 135.9 56.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.505 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.682 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -104.53 12.57 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.682 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -127.59 -12.22 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -129.15 138.23 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.57 138.9 31.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.605 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.44 123.04 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -178.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -109.67 122.96 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.293 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.1 129.92 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 tp -142.05 92.74 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.9 t -113.35 131.01 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -107.99 134.13 51.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.357 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -116.88 159.36 22.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.8 t30 -79.99 157.62 26.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -47.65 -51.08 22.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.519 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 58.2 t0 -75.3 75.26 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.5 m -154.47 113.71 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 50.3 t0 -78.57 80.03 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 pt -121.28 158.96 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 103' ' ' GLU . 29.7 ttpt -132.0 165.74 23.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.626 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -103.92 136.62 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt -112.08 174.36 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.37 -138.56 1.42 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 3.67 54.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.1 m -48.31 124.76 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -83.61 126.53 32.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 41.6 tp -122.54 127.87 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.551 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.417 ' HG3' HE22 ' A' ' 82' ' ' GLN . 19.5 pt-20 -149.71 153.97 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -107.7 150.12 27.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.417 HE22 ' HG3' ' A' ' 80' ' ' GLU . 22.1 mm-40 -100.64 170.18 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.68 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -63.06 -24.59 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.68 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.23 57.25 0.85 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.483 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.2 mt-10 -143.6 149.68 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.548 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -103.77 140.66 37.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.483 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.486 ' O ' HD12 ' A' ' 79' ' ' LEU . 89.5 t -127.92 135.82 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.67 113.44 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -121.7 144.84 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 p -162.93 139.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -102.35 135.57 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.35 130.11 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.466 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -93.3 152.05 40.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.1 159.32 12.66 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.4 m 53.58 28.32 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -153.16 155.96 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.1 m -134.63 135.26 42.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -129.46 155.91 44.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.1 mtp -83.05 155.58 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.6 t80 -116.0 -103.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.04 163.19 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.9 tt0 -141.76 154.6 45.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.58 -159.29 14.42 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.6 ttt180 -94.39 138.21 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.537 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -109.57 130.66 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.4 t30 -135.2 120.94 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.79 97.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD1' HG12 ' A' ' 106' ' ' VAL . 21.6 p90 -145.68 157.84 43.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.788 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -116.98 135.55 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.312 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m -113.86 133.49 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.977 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -136.42 121.25 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.233 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.6 mtm -127.17 165.26 19.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.997 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 45.0 t0 -156.31 174.96 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.354 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.97 88.0 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.813 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.09 151.84 45.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' SER . 57.4 Cg_endo -72.92 135.64 23.67 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.144 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 122' ' ' TYR . 54.3 mt -41.48 98.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' PRO . 29.6 m -66.92 177.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.06 -29.52 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.434 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.55 -35.19 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.469 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 118' ' ' LEU . 58.0 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.63 -52.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.253 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.8 m-20 -81.84 4.62 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.656 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.66 155.94 9.15 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.637 ' H ' ' NE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -85.95 149.39 50.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.82 148.97 20.91 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.866 2.377 . . . . 0.0 112.189 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.3 m -79.04 -19.57 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -113.06 140.63 47.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.76 129.78 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.99 -118.51 3.11 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -136.98 -62.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.594 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -92.1 129.19 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.69 132.89 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.95 133.5 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.474 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -93.65 132.82 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.31 -69.6 1.29 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -88.16 132.0 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.619 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.85 4.18 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -91.77 154.18 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 37.8 t0 61.69 -141.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.523 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 24.6 p-10 -92.33 13.22 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.87 -19.45 44.05 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.5 mt 59.89 -76.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.623 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.6 tp -112.93 131.51 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -108.49 125.3 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -81.76 112.07 18.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.64 130.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 48' ' ' TRP . 41.7 t -132.23 127.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.8 t-20 -105.96 103.75 13.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.0 -30.67 64.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HZ2' ' HG3' ' A' ' 45' ' ' LYS . 24.9 ttpp -58.25 -57.93 10.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.627 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 89.3 mttt -99.16 -4.07 33.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 54.01 28.19 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.763 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.97 127.78 44.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.457 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.2 m0 -85.88 147.33 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.92 147.05 32.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.495 ' CD1' HD21 ' A' ' 37' ' ' LEU . 57.8 m-85 -123.73 138.83 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.826 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.632 ' O ' HD12 ' A' ' 37' ' ' LEU . 60.9 t80 -125.44 127.07 45.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.525 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 39.0 t-20 -96.2 131.34 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.542 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 39.9 p-10 -102.18 -35.48 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.521 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.7 122.44 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.517 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 47.3 p -97.04 15.5 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.19 -15.58 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -135.75 145.82 47.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -93.32 145.86 24.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.517 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.553 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.59 122.35 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.641 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.41 ' CE1' HD12 ' A' ' 116' ' ' LEU . 48.1 m-70 -108.53 117.53 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.437 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.38 134.46 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 tp -142.87 91.31 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.365 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.29 135.05 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -113.09 135.0 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.397 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -118.69 164.24 15.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 36.2 t30 -82.95 154.69 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.56 -44.74 36.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.578 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.5 m-20 -79.55 72.78 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.533 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 33.8 m -153.58 116.83 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 105' ' ' ARG . 43.5 t0 -77.65 80.11 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -122.15 155.52 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 34.7 tttp -136.01 162.03 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -95.45 145.61 25.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' GLY . 63.6 mt -112.91 -103.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.53 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.9 -158.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -53.33 -6.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.507 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 75' ' ' GLY . 90.5 m -44.9 111.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -80.65 121.29 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 57.3 tp -113.65 131.75 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -153.58 153.76 32.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.25 151.94 25.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -106.61 168.43 9.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.49 -37.18 86.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.7 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.72 -25.2 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.7 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 98.85 56.42 1.02 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.3 mt-10 -140.92 146.79 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.354 . . . . 0.0 110.613 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -101.14 137.74 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 79' ' ' LEU . 81.9 t -126.12 135.41 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.0 103.54 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.1 p -113.8 144.83 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.61 147.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.22 134.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.714 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.51 133.02 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -90.0 154.3 47.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.75 148.06 84.96 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.794 2.33 . . . . 0.0 112.092 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 m 59.63 30.78 20.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -149.19 135.35 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.579 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -117.2 123.98 47.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -119.35 163.43 17.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -81.21 153.7 27.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -115.77 -94.24 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.703 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -134.07 155.51 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.7 tt0 -132.04 155.15 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.66 -159.71 18.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASP . 58.5 ttm-85 -94.69 141.71 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.479 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.97 135.92 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 7.9 p30 -140.53 121.79 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.81 98.35 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -139.77 156.31 46.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.709 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -106.94 129.28 54.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.2 m -111.85 134.42 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -138.28 121.69 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 113' ' ' MET . 2.8 mpp? -133.17 171.29 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 111.04 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.4 t0 -160.35 172.55 17.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.31 87.42 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.76 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 60' ' ' HIS . 12.6 mt -87.37 150.18 48.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.72 149.43 60.73 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.817 2.345 . . . . 0.0 112.119 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.65 128.65 36.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.7 m -95.33 -170.61 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.57 -31.01 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.471 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.26 -39.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.0 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.513 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.692 0.282 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -60.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 -179.182 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.571 ' N ' HG22 ' A' ' 15' ' ' VAL . 78.6 m-20 -63.67 -28.47 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.682 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.22 161.4 18.01 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -92.77 149.14 37.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.476 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.65 139.03 27.52 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.838 2.359 . . . . 0.0 112.226 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -85.48 9.04 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -136.32 127.95 28.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.06 128.56 68.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.25 -114.79 3.49 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -136.52 -59.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -89.72 116.92 28.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.56 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -119.33 131.85 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -139.96 171.18 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.2 mttm -114.93 97.08 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -33.57 -77.45 0.04 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -66.59 137.35 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.664 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 2.6 pm0 -94.96 31.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -132.15 159.11 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 58.25 -149.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -84.14 20.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 95.46 -23.84 31.92 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 23.9 mt 60.09 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.2 tp -105.95 134.03 49.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -108.79 128.25 54.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -85.74 110.63 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -103.74 130.86 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 48' ' ' TRP . 43.9 t -132.56 126.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.654 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.1 t-20 -102.85 104.3 14.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.07 -32.37 70.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.693 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -59.34 -52.39 65.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -100.81 -6.09 25.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 55.73 22.42 5.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.686 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -97.29 127.91 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.442 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.2 m0 -83.53 153.81 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.96 145.19 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -124.42 137.13 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.578 ' O ' HD12 ' A' ' 37' ' ' LEU . 53.3 t80 -121.39 122.77 40.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 130.93 38.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.548 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 25.7 p-10 -106.8 -35.4 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.539 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.5 p -58.21 120.31 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 63.1 p -95.52 13.35 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -126.02 -15.83 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.661 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -136.16 145.41 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.23 145.14 24.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 121.93 34.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 116' ' ' LEU . 48.3 m-70 -108.16 121.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -101.8 131.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.825 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 tp -142.05 92.37 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.305 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.95 131.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -110.08 135.23 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.383 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -118.22 158.06 25.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.734 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.532 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 40.4 t30 -76.76 157.2 31.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -47.27 -45.97 24.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.582 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.3 t70 -80.82 77.2 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.5 m -154.78 112.45 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.4 t0 -76.27 80.71 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.464 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 65' ' ' PHE . 23.5 pt -123.84 159.35 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.59 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.8 mtpt -132.03 171.19 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.612 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -109.38 136.37 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.54 173.3 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.589 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.88 -137.88 1.35 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -87.14 -2.8 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.5 m -44.54 117.13 1.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -81.85 126.94 32.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 43.8 tp -121.45 127.25 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.608 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HG3' HE22 ' A' ' 82' ' ' GLN . 20.6 pt-20 -147.84 154.03 39.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -106.86 151.84 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.407 HE22 ' HG3' ' A' ' 80' ' ' GLU . 32.7 mm-40 -103.18 165.92 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.99 -35.83 81.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.506 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.717 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -63.54 -25.12 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.717 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.67 61.8 0.76 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.481 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.6 mt-10 -144.55 146.39 32.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -102.4 136.37 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.508 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.514 ' O ' HD12 ' A' ' 79' ' ' LEU . 88.6 t -126.0 139.7 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.512 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.08 108.07 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.5 p -118.67 143.9 46.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.644 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.88 144.82 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -103.25 135.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.651 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 t -114.93 128.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -90.12 156.56 46.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.453 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.93 155.71 58.7 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.77 2.314 . . . . 0.0 112.074 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 34.3 t 55.43 22.82 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -144.64 145.41 31.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.58 138.57 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -133.8 163.43 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.3 mmm -86.93 155.14 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CG ' HG23 ' A' ' 102' ' ' ILE . 19.7 t80 -116.68 -102.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.41 HG23 ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.87 161.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.8 tt0 -139.92 153.44 46.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.92 -159.44 15.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.9 ttt180 -95.94 139.39 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -119.88 132.38 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 3.4 p-10 -139.27 118.65 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.25 97.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 106' ' ' VAL . 19.5 p90 -145.79 157.4 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.806 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -108.54 127.57 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.288 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -111.04 134.88 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -136.87 123.64 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.244 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.1 mtm -130.18 162.42 28.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 110.95 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.4 t0 -156.64 172.17 19.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.6 87.24 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.691 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 60' ' ' HIS . 12.1 mt -85.74 150.51 53.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.65 146.4 48.91 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.827 2.352 . . . . 0.0 112.089 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.411 HD22 ' CG ' ' A' ' 122' ' ' TYR . 16.4 mt -68.16 111.76 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 m -86.93 -168.11 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.9 -30.71 69.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 11.4 pt-20 -55.29 -41.54 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.43 ' N ' ' CG ' ' A' ' 121' ' ' GLU . 42.2 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.464 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.742 0.306 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.93 -56.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.6 m-20 -71.0 -23.55 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.83 162.7 10.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.766 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -92.56 145.65 30.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.514 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.82 152.7 12.93 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.82 2.347 . . . . 0.0 112.189 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.0 m -83.44 -21.82 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 79.7 t80 -96.2 141.39 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.505 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -102.16 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.53 -144.23 3.98 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -131.58 -73.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -75.49 124.25 26.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.604 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.44 129.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -148.44 161.35 41.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -96.69 134.0 40.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.49 -60.7 4.55 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -78.65 145.22 34.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.618 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -95.13 26.15 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -121.81 154.46 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 31.0 t0 57.08 -155.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.548 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 25.7 m120 -65.03 -33.34 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 159.01 -22.44 0.31 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 19.2 mt 61.35 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.9 tp -106.6 131.86 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.619 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.97 130.97 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.533 ' NH1' ' OH ' ' A' ' 50' ' ' TYR . 36.3 ttm-85 -89.42 115.59 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.3 mt -106.01 128.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.49 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.74 131.17 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t-20 -107.84 102.55 11.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -56.77 -27.76 60.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -54.76 -58.43 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.629 ' NZ ' ' NE2' ' A' ' 47' ' ' GLN . 7.8 mtpm? -107.15 1.19 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.641 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 55.09 30.37 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.745 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.629 ' NE2' ' NZ ' ' A' ' 45' ' ' LYS . 2.3 pt20 -98.21 127.3 44.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.496 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 37.2 m0 -82.45 152.21 26.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.608 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.19 145.18 28.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.533 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 52.7 m-85 -120.31 142.43 49.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.721 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -130.19 123.81 31.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.474 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.596 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 5.5 t-20 -89.06 134.71 33.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 54' ' ' THR . 29.7 p-10 -106.51 -36.22 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.561 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -63.5 118.58 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.492 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.654 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 57.6 p -90.19 12.3 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.654 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -124.71 -19.28 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.653 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -134.84 142.36 46.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.598 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.9 pm0 -91.85 142.53 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.78 116.92 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.661 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.451 ' CE1' HD12 ' A' ' 116' ' ' LEU . 22.8 m-70 -95.11 128.16 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 50' ' ' TYR . 58.1 t -101.74 129.88 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.13 91.44 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.366 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.22 134.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -111.86 136.05 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.366 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.99 165.92 14.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.546 HD22 ' CG ' ' A' ' 68' ' ' ASP . 20.9 t30 -82.19 157.04 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -49.96 -48.68 52.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.561 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 51.4 p30 -79.12 77.81 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.583 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 34.9 m -153.65 116.0 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.5 m-20 -75.92 80.64 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 pt -124.59 157.09 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 103' ' ' GLU . 14.0 ttmt -132.22 162.88 29.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -101.18 136.71 40.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -111.96 172.37 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.05 -137.8 1.92 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' NZ ' HG23 ' A' ' 91' ' ' VAL . 1.3 ptmm? -90.78 -0.15 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.489 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -45.02 121.34 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -81.4 127.66 33.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 88' ' ' VAL . 50.8 tp -125.09 130.8 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -152.62 157.22 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.406 HE21 ' HA2' ' A' ' 85' ' ' GLY . 62.8 tt0 -108.52 151.24 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.525 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -104.7 167.13 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.549 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.93 -36.2 82.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.694 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.75 -25.23 67.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.57 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.694 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.21 59.19 0.89 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.472 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.3 mt-10 -142.96 147.97 36.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -102.3 137.34 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 87.6 t -126.85 134.36 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.12 113.88 11.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.502 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.4 p -124.28 143.86 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.484 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 9.5 p -161.67 139.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.432 HG22 ' ND1' ' A' ' 60' ' ' HIS . 59.2 t -94.25 139.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.678 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.0 t -118.63 132.74 67.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.413 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -93.53 152.91 41.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.499 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.68 151.09 78.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.667 2.245 . . . . 0.0 112.091 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.4 t 60.04 31.22 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -150.27 155.95 40.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -135.22 116.75 14.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.04 165.27 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.8 mmm -86.44 155.59 20.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.625 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -120.14 -103.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -122.02 159.21 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.8 tt0 -137.71 153.1 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.67 -158.95 16.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' ASP . 25.7 ttm105 -95.93 140.36 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.45 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.496 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.8 t -123.87 137.5 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.583 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 7.8 p30 -137.9 122.27 18.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.352 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.74 97.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -138.87 156.13 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.753 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -107.52 129.76 54.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.37 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.4 m -112.63 136.52 52.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -140.37 126.02 19.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.176 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -134.66 163.37 29.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.987 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 39.3 t0 -149.77 171.56 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.299 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 92.51 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 60' ' ' HIS . 7.8 mt -91.98 150.79 41.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.482 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.7 Cg_endo -74.81 135.03 18.92 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.795 2.33 . . . . 0.0 112.128 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.441 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.8 mt -54.78 138.81 41.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.343 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -110.58 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.559 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.86 -32.23 60.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.544 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.8 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.409 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.739 0.305 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.02 -55.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.626 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.1 m-80 -76.49 -23.8 53.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.16 175.46 29.12 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -91.49 158.3 40.87 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.89 141.47 30.25 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.873 2.382 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.43 ' CB ' ' HG1' ' A' ' 98' ' ' THR . 21.2 p -74.93 -14.52 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -121.34 151.14 40.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.499 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.774 HG22 ' H ' ' A' ' 23' ' ' GLY . 9.0 p -136.56 176.35 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.774 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -161.29 -113.67 0.32 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -143.92 -57.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.616 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -92.99 128.28 38.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.28 134.23 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -147.84 159.6 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.49 121.73 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.86 -70.14 1.05 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -73.01 -131.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.526 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -170.47 51.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -154.09 150.32 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 43.1 t0 61.02 -135.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.506 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.504 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 6.2 p30 -90.36 12.29 18.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.2 -16.82 56.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 60.89 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.644 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.3 tp -107.84 134.11 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -110.42 137.65 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.528 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -90.55 102.72 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.75 124.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 48' ' ' TRP . 38.2 t -132.4 127.93 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -109.15 103.88 12.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -57.57 -31.4 66.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.668 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -55.43 -55.0 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.8 mmtt -102.99 -4.67 24.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.638 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 54.29 32.16 15.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.685 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.38 125.69 49.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.486 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CD1' HG13 ' A' ' 41' ' ' VAL . 37.3 m0 -84.14 146.33 27.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.5 148.64 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.365 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.465 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 65.4 m-85 -122.55 146.39 47.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 37' ' ' LEU . 51.4 t80 -131.78 122.47 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.446 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 64.9 t-20 -92.02 137.38 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.537 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 31.3 p-10 -112.26 -36.84 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.71 123.51 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.705 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 46.1 p -96.84 13.67 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.65 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.705 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -126.29 -13.48 6.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.7 m-85 -138.66 145.08 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.2 pt-20 -92.77 146.42 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.454 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.02 117.66 30.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.705 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.419 ' CE1' HD12 ' A' ' 116' ' ' LEU . 43.2 m-70 -105.71 123.6 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.318 179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.76 133.54 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.768 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.11 92.39 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.69 131.69 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.794 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -111.73 131.07 55.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.391 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -115.41 160.13 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.782 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.2 t30 -75.52 155.51 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.61 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -49.06 -45.0 42.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 63.1 t0 -79.54 74.43 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 31.8 m -154.15 114.96 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.594 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.1 m-20 -76.75 80.33 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.74 154.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.1 mtpp -127.91 169.95 13.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -106.53 141.23 38.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 75' ' ' GLY . 14.1 mt -120.37 174.08 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' LEU . . . 38.77 -137.56 0.95 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.511 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.4 m -45.49 117.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -85.09 124.36 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.536 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 56.3 tp -119.03 131.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -151.51 154.04 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.561 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.93 150.7 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.74 169.56 8.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.04 -34.99 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER -66.77 -24.54 66.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.45 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.28 63.87 0.77 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.435 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.8 mt-10 -144.44 147.43 33.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -102.91 137.58 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.9 t -130.65 133.22 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.57 107.59 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.3 p -115.31 143.96 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.634 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.73 139.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.442 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.73 135.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.36 135.06 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.47 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -97.81 153.41 38.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.67 152.19 50.4 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.781 2.321 . . . . 0.0 112.135 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.2 t 51.48 42.13 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.497 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -156.32 156.87 34.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.43 ' HG1' ' CB ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -135.25 144.76 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -140.52 162.32 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.608 -179.226 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.5 mmm -88.07 142.44 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' HG23 ' A' ' 102' ' ' ILE . 17.0 t80 -104.05 -102.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -124.13 154.78 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 72' ' ' LYS . 84.4 tt0 -131.96 156.42 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.573 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.18 -160.05 14.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.4 ttm-85 -93.55 139.92 30.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.468 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.7 t -121.77 135.67 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.797 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -148.45 116.13 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.325 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.82 99.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CD1' HG12 ' A' ' 106' ' ' VAL . 23.7 p90 -151.12 154.24 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -105.42 132.42 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.309 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 m -117.26 132.94 56.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -136.77 119.41 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.196 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 75.0 mtm -124.44 163.42 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.019 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -157.7 170.99 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.22 88.56 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.72 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.419 HD12 ' CE1' ' A' ' 60' ' ' HIS . 18.5 mt -85.75 164.41 39.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.443 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 6.1 Cg_exo -75.8 152.74 37.48 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.778 2.318 . . . . 0.0 112.074 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.64 111.26 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -80.26 -165.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -66.4 -30.49 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -54.95 -38.22 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.428 179.672 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.793 0.33 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.94 -49.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 70.7 m-80 -88.12 4.24 46.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.705 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.76 173.03 13.42 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.6 153.13 50.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.77 149.77 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.822 2.348 . . . . 0.0 112.209 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.506 ' HG1' ' CB ' ' A' ' 98' ' ' THR . 17.1 p -84.73 2.31 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -132.59 145.28 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.486 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.71 141.62 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.15 -111.97 1.37 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -145.19 -62.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.623 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.92 119.74 31.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -110.95 135.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -137.15 170.91 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -132.94 115.32 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.05 -65.7 3.36 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.66 121.91 32.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -73.65 -23.04 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.551 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -56.94 158.29 5.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.7 t0 55.78 -143.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.538 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 81.5 m-20 -90.91 8.97 32.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.35 -20.75 10.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 51.5 mt 56.73 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.665 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 51' ' ' TYR . 15.3 tp -107.83 130.37 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -109.63 126.46 53.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.485 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' THR . 60.5 ttp180 -84.22 123.2 29.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.14 131.41 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.507 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -134.24 128.99 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 t-20 -109.24 103.55 12.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -54.81 -31.95 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.683 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 44.5 mtmt -97.94 -2.34 40.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 58.09 37.63 26.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -100.18 126.16 46.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.491 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 37.5 m0 -85.21 144.92 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.79 146.01 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CD2' HG21 ' A' ' 61' ' ' VAL . 66.6 m-85 -123.88 136.27 54.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 37' ' ' LEU . 56.0 t80 -119.31 126.38 51.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.44 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 52.0 t-20 -95.32 133.85 38.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 54' ' ' THR . 22.5 p-10 -105.08 -40.73 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.532 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.4 p -58.62 116.42 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -86.76 -4.16 59.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.9 tt0 -95.3 -46.58 6.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.97 150.5 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -93.47 150.26 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.519 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.82 122.73 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.48 ' ND1' HG22 ' A' ' 92' ' ' VAL . 39.0 m-70 -106.63 119.15 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.381 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 50' ' ' TYR . 75.8 t -97.71 132.93 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -143.35 92.07 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.348 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.4 t -113.18 134.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.8 m -112.49 134.46 54.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.412 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.03 163.01 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.1 t30 -81.22 160.27 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.8 -52.38 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.45 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 56.3 t0 -74.34 76.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.9 m -154.27 113.2 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' ARG . 42.8 t0 -76.64 79.92 3.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.538 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.73 156.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -138.12 160.79 38.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -91.53 140.5 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.544 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.7 mt -103.02 -101.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.59 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.0 -154.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -59.99 -2.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.545 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 75' ' ' GLY . 60.7 m -46.41 116.64 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -80.08 123.28 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 52.0 tp -118.27 132.48 56.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -155.31 154.64 32.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -108.78 151.38 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -105.07 168.28 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.92 -36.37 83.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.696 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -60.74 -25.18 66.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.696 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.25 57.6 0.95 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.3 mt-10 -142.19 146.09 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.578 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.45 138.78 38.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' HD12 ' A' ' 79' ' ' LEU . 91.1 t -126.78 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.25 106.47 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.6 p -117.31 143.07 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.16 145.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.48 HG22 ' ND1' ' A' ' 60' ' ' HIS . 49.8 t -101.83 134.22 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.35 134.55 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.486 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -92.95 156.14 40.77 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.528 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.501 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 33.4 Cg_exo -56.55 162.76 7.77 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.725 2.283 . . . . 0.0 112.083 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 15.1 p 40.82 25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.416 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' PRO . 57.2 mm-40 -142.4 130.77 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.506 ' CB ' ' HG1' ' A' ' 20' ' ' THR . 0.7 OUTLIER -114.1 122.1 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.529 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -112.92 160.27 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 82.7 mmm -82.05 149.87 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -111.54 -101.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.72 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -127.28 156.7 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.2 tt0 -133.9 153.75 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.67 -161.03 18.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ASP . 71.7 ttt180 -92.4 141.28 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.491 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.3 t -123.56 133.6 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -134.98 121.46 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.293 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.81 98.46 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -139.77 156.63 46.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.757 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -110.3 127.79 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.331 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -107.51 135.7 48.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -140.9 124.89 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -133.73 172.79 12.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.5 t70 -165.58 170.2 14.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.361 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.86 94.66 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.787 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mt -96.94 152.51 38.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.415 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 161.52 2.21 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.829 2.352 . . . . 0.0 112.107 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.74 123.91 32.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.428 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -83.02 178.91 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.93 -29.97 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.46 -38.17 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 31.1 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.4 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.565 HG11 HD22 ' A' ' 34' ' ' ASN . 0.1 OUTLIER -139.94 -57.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.599 -179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 76.9 m-20 -65.53 -25.75 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.712 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.7 174.31 26.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -99.68 137.74 20.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.43 148.46 5.2 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.83 2.353 . . . . 0.0 112.198 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -84.17 -0.66 52.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -127.51 138.44 52.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.76 129.94 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.633 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.37 -104.17 2.38 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.49 -59.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -96.8 125.97 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.29 140.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -144.07 170.61 15.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 108.57 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.69 -71.36 0.4 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.41 125.41 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.637 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 51.7 mp0 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -64.12 160.32 18.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' CB ' HD21 ' A' ' 36' ' ' LEU . 64.9 m-20 57.65 -158.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.565 HD22 HG11 ' A' ' 15' ' ' VAL . 79.6 m-20 -79.67 8.91 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 112.08 -28.48 9.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.6 mt 60.41 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.69 0.281 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 56.5 tp -101.3 126.0 48.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -107.8 125.29 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' THR . 55.0 ttp180 -88.85 115.14 26.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.5 mt -104.89 130.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.29 129.34 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.5 t-20 -106.49 101.97 11.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.554 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -54.09 -29.79 45.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.726 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -51.65 -70.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.673 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -93.87 -2.15 53.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 57.98 30.95 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.88 128.94 44.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.406 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 35.6 m0 -83.98 142.4 30.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.04 144.51 38.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.418 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -123.46 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -125.12 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.503 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 53.4 t-20 -92.22 129.41 38.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.705 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 54' ' ' THR . 23.8 p-10 -103.25 -38.93 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.463 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.555 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.8 p -59.2 117.2 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.688 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 66.4 p -89.06 0.66 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.688 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -113.21 -16.21 12.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -135.63 149.1 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.668 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -93.97 142.99 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.46 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.662 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.66 121.76 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.444 ' ND1' HG22 ' A' ' 92' ' ' VAL . 47.3 m-70 -106.47 131.57 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.321 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.2 t -111.54 132.42 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.773 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 tp -143.28 95.27 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -115.86 130.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.743 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -108.26 133.13 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.37 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.02 160.4 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.5 t30 -79.15 153.63 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -47.3 -43.69 22.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-20 -79.28 72.1 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.623 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 37.5 m -153.85 112.08 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.606 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -77.44 80.5 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.424 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.57 158.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.603 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 15.5 ttmt -132.34 162.48 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -96.47 138.97 33.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.5 mt -116.59 167.92 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.31 -135.51 9.56 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -92.51 -2.12 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.3 m -47.5 123.0 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -85.12 127.87 34.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 60.5 tp -122.28 130.78 53.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.576 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.19 152.55 33.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -107.82 151.06 26.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.603 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -105.07 169.78 8.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -65.23 -34.46 78.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.698 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -64.35 -25.24 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.698 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.87 55.17 1.01 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.478 ' HB2' HD21 ' A' ' 84' ' ' ASN . 80.2 mm-40 -136.12 141.58 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.46 133.86 42.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.4 t -121.35 129.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.642 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.11 107.8 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.508 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 p -119.61 144.46 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.91 139.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.473 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.444 HG22 ' ND1' ' A' ' 60' ' ' HIS . 40.1 t -97.76 133.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.0 t -112.8 130.33 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.25 152.77 39.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.469 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.84 151.44 71.11 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.752 2.301 . . . . 0.0 112.107 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.32 25.76 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.414 ' OE2' ' OE2' ' A' ' 99' ' ' GLU . 64.0 tt0 -149.09 156.38 42.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -137.91 120.23 15.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 75.5 mm-40 -112.95 160.75 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.2 mtp -84.38 154.82 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -116.89 -103.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.744 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -128.41 157.16 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -134.37 -177.31 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.562 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 96.69 -155.42 20.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -96.75 139.99 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.447 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.51 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.8 t -111.88 132.4 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' GLY . 4.3 t30 -137.39 121.38 17.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.6 98.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.51 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.2 p90 -145.92 156.71 43.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 110.816 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -115.74 135.51 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.344 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -113.11 134.01 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -142.34 123.08 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 113' ' ' MET . 4.2 mpp? -128.61 172.51 11.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 110.955 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.9 t70 -161.34 170.99 19.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -122.47 89.03 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.679 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 60' ' ' HIS . 9.2 mt -90.12 151.86 45.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.594 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.7 142.26 47.69 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.095 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' A' ' 122' ' ' TYR . 56.4 mt -50.05 105.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.428 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.1 m -67.43 167.05 13.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -51.48 -28.25 12.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.47 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.23 -33.7 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.523 ' CE2' HD13 ' A' ' 118' ' ' LEU . 55.6 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 27.3 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.722 0.296 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.27 -59.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.136 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 80.8 m-20 -70.8 -26.6 63.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.51 178.13 35.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 28.8 mmm-85 -98.21 148.02 33.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.531 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 14' ' ' TYR . 41.9 Cg_endo -70.25 143.07 47.4 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.805 2.337 . . . . 0.0 112.2 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 p -77.16 -9.6 58.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -117.3 140.04 50.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -137.65 127.65 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.56 -105.06 2.87 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -147.54 -57.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.596 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -95.04 127.4 41.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.68 135.84 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -146.86 140.17 25.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -89.2 136.56 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.94 -59.53 2.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -79.98 125.56 29.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.87 -30.6 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 18.1 tptm -66.18 150.59 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 m-20 57.79 -174.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -51.17 -35.68 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.23 -20.1 0.55 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.5 mt 61.06 -76.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.592 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.2 tp -103.64 126.69 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.31 120.82 42.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' THR . 59.0 ttp180 -76.67 122.52 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.1 mt -107.66 129.67 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -133.58 130.63 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.59 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.569 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -112.69 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -52.77 -30.2 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -50.89 -57.0 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.653 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -109.2 -2.59 17.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.658 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER 55.76 34.8 24.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -96.92 122.7 40.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.0 m0 -83.66 143.05 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.63 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.451 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.446 ' CD1' HD21 ' A' ' 37' ' ' LEU . 70.1 m-85 -130.34 139.25 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.584 ' O ' HD12 ' A' ' 37' ' ' LEU . 33.8 t80 -121.73 119.12 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.414 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 58.2 t-20 -81.3 134.68 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 8.7 p-10 -112.9 -41.62 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.515 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.8 111.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 118' ' ' LEU . 70.9 p -81.26 -5.56 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.472 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.1 tt0 -95.85 -45.74 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 m-85 -114.87 153.16 30.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -92.66 150.68 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.504 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.4 119.99 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.733 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -109.07 123.13 48.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.349 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 50' ' ' TYR . 83.6 t -104.0 133.43 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.718 -178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.51 92.27 2.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.361 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.4 t -112.74 135.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.778 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.7 m -111.51 137.57 49.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.67 166.95 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 29.4 t30 -86.28 152.47 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.603 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -47.46 -43.95 24.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.7 m-20 -81.44 74.0 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.59 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 36.3 m -153.65 116.99 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -76.48 81.44 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 71' ' ' ILE . 26.4 pt -125.01 159.96 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.635 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -143.05 164.64 29.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.64 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -94.66 140.54 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.7 mt -102.55 -101.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.89 -151.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -62.47 -0.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.553 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.47 ' H ' ' C ' ' A' ' 75' ' ' GLY . 71.8 m -47.35 114.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -78.74 119.89 22.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 47.4 tp -114.29 129.97 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -153.28 154.88 35.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -107.15 150.14 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.419 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 31.9 mm-40 -101.23 179.07 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.13 -41.44 63.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.534 ' ND2' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -58.27 -25.68 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.35 54.96 0.82 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 9.7 mp0 -137.42 150.41 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.646 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -103.49 134.18 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.481 ' O ' HD12 ' A' ' 79' ' ' LEU . 83.5 t -118.97 139.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.543 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.27 106.31 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 p -119.17 145.82 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.9 146.67 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.5 t -105.53 135.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.71 133.03 65.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -89.18 149.13 42.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.413 ' HG3' ' O ' ' A' ' 54' ' ' THR . 75.3 Cg_exo -41.5 -73.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.693 2.262 . . . . 0.0 112.135 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.47 47.5 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 98' ' ' THR . 2.0 tm-20 -158.41 146.98 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.572 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.489 ' N ' ' CD ' ' A' ' 97' ' ' GLU . 4.6 m -131.04 133.58 45.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -127.92 156.8 42.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 91.1 mmm -83.49 145.81 28.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.68 -104.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.749 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -128.07 161.49 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.549 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.6 pp20? -134.78 -178.68 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.86 -159.23 19.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -95.28 143.43 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.45 136.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.59 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p30 -137.76 122.42 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.348 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.75 95.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.5 156.06 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -105.96 126.36 52.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -111.56 134.77 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.55 121.75 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.236 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -128.46 164.8 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.992 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.8 t70 -156.24 169.32 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.306 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.18 97.48 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.739 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.74 151.93 37.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.66 155.79 9.87 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.808 2.339 . . . . 0.0 112.15 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 55' ' ' THR . 22.0 mt -83.98 114.64 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 m -68.43 168.24 13.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.545 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -56.36 -26.79 53.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.64 -35.79 73.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 35.0 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 179.703 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.716 0.293 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.94 -53.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.633 -178.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 68.0 m-80 -80.77 2.33 26.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.41 169.14 12.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.79 136.52 21.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.516 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -46.66 147.41 4.5 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.834 2.356 . . . . 0.0 112.248 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -79.35 -5.38 54.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -127.39 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -131.94 129.03 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.79 -114.95 3.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -134.86 -60.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -89.82 128.17 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.98 132.97 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -147.11 171.72 14.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.515 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 114.24 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.39 -72.75 0.34 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.78 -152.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.595 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.88 17.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASP . 63.8 mttm -108.92 171.45 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.482 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' LYS . 75.5 m-20 41.29 -164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -57.08 -31.04 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.595 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.37 -23.43 0.58 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt 59.79 -76.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.636 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 50' ' ' TYR . 14.0 tp -107.54 129.15 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -108.94 140.25 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.522 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.66 ' NH1' ' CZ ' ' A' ' 50' ' ' TYR . 4.7 tpm_? -92.18 104.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 mt -98.8 127.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.42 128.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.2 t-20 -107.44 103.03 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -52.95 -30.85 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.659 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -97.48 -3.06 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.633 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.3 mmtm 57.2 35.95 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.71 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -97.04 126.25 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -86.48 140.63 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.601 ' N ' ' NH2' ' A' ' 39' ' ' ARG . . . -140.6 149.73 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.66 ' CZ ' ' NH1' ' A' ' 39' ' ' ARG . 38.7 m-85 -122.93 140.05 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.759 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -128.59 120.06 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.599 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 25.0 t-20 -83.32 115.43 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.731 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 63.9 t0 -78.68 -39.07 37.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.44 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 49.8 p -59.3 165.1 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 p -125.38 5.84 7.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -140.62 3.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.88 129.47 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.684 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 8.2 pt-20 -92.85 131.81 37.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.599 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -92.41 119.94 32.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 -179.042 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.462 ' ND1' HG22 ' A' ' 92' ' ' VAL . 35.8 m-70 -101.96 109.93 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.444 HG21 ' CD2' ' A' ' 50' ' ' TYR . 62.2 t -87.99 133.31 30.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.775 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.31 91.74 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.297 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -113.34 137.05 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.793 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.6 m -114.8 134.04 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.302 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.2 m-85 -117.74 160.34 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.735 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.504 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 31.6 t30 -78.18 157.97 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.636 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -49.73 -51.35 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 55.5 t0 -75.93 76.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.598 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 33.8 m -154.02 114.48 3.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.9 t0 -75.93 81.27 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.434 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 71' ' ' ILE . 25.9 pt -124.65 157.89 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -141.77 161.02 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.653 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -90.91 141.24 29.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.475 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.1 mt -103.48 -97.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.35 -150.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.49 1.18 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.447 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.6 m -48.42 116.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.558 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -75.86 121.48 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 88' ' ' VAL . 47.1 tp -116.63 129.63 56.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.401 ' HG3' HE22 ' A' ' 82' ' ' GLN . 20.4 pt-20 -152.98 151.9 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.4 HE21 ' HA2' ' A' ' 85' ' ' GLY . 63.5 tt0 -108.64 151.43 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.401 HE22 ' HG3' ' A' ' 80' ' ' GLU . 26.9 mm-40 -106.21 168.01 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.61 -37.64 87.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.718 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.54 -25.04 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.51 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.718 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.08 54.14 1.13 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' HD21 ' A' ' 84' ' ' ASN . 81.0 mm-40 -136.38 140.52 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.491 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -97.97 129.34 44.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.474 ' O ' HD12 ' A' ' 79' ' ' LEU . 82.7 t -115.02 135.16 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.73 103.66 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.4 p -118.53 143.91 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.72 141.71 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.462 HG22 ' ND1' ' A' ' 60' ' ' HIS . 48.6 t -101.34 132.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.99 133.47 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.496 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -92.67 151.88 41.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.61 148.4 93.1 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.793 2.329 . . . . 0.0 112.057 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 t 65.32 22.78 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -147.43 136.37 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.534 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 m -116.09 121.02 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -115.1 161.31 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.0 mmm -85.09 154.61 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.571 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -113.16 -102.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.75 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -129.35 159.38 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.518 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.7 pp20? -132.48 -178.67 5.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.42 -159.53 19.86 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 ttm-85 -94.37 142.32 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.466 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.56 136.7 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.717 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.598 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 7.8 p30 -139.56 121.66 15.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.319 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.21 98.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -132.94 161.87 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -105.43 122.02 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.347 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 p -100.73 118.61 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -129.67 116.63 19.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.216 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.408 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -132.28 170.3 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.994 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -157.64 173.31 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.08 88.24 2.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.775 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.424 HD12 ' CE1' ' A' ' 60' ' ' HIS . 4.0 mt -95.66 155.08 38.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.447 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.44 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 70.3 Cg_endo -77.1 141.2 20.64 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.758 2.305 . . . . 0.0 112.146 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 122' ' ' TYR . 27.2 mt -42.03 104.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.421 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.0 m -66.55 170.84 5.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.579 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -53.23 -29.69 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.53 -35.03 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.404 ' CE2' HD13 ' A' ' 118' ' ' LEU . 73.6 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.431 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.708 0.289 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.75 -57.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.621 -179.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.1 m-80 -65.26 -27.38 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.657 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.07 170.43 31.93 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -95.97 150.85 37.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.07 137.17 19.12 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.8 2.333 . . . . 0.0 112.232 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.43 HG22 ' OG1' ' A' ' 98' ' ' THR . 9.5 t -80.58 0.34 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -129.51 134.97 48.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.68 125.57 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.31 -108.6 3.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -146.77 -58.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -89.94 105.97 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -105.8 142.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.85 171.49 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.494 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -133.94 104.39 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -40.7 -69.6 0.47 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -82.69 117.45 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.61 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.35 -30.77 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -58.71 159.0 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 55.15 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -53.75 -33.1 54.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.85 -25.3 0.56 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 20.2 mt 60.72 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.684 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 35' ' ' GLY . 49.2 tp -110.09 125.35 52.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -110.49 126.56 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.458 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -90.58 115.47 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.672 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -106.83 133.41 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 48' ' ' TRP . 39.7 t -134.31 128.17 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.639 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.9 t-20 -108.79 100.22 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -54.44 -31.8 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.662 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -55.86 -50.87 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.639 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -106.97 -3.11 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.608 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.639 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.02 26.14 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.694 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -99.13 129.97 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CD1' HG13 ' A' ' 41' ' ' VAL . 28.4 m0 -87.21 151.17 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.3 147.56 29.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -125.4 141.0 52.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.718 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -124.1 115.92 21.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.464 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -87.19 131.61 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.537 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 2.6 p30 -107.68 -35.5 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.404 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.12 118.12 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.3 p -90.51 0.49 57.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 tt0 -104.45 -44.78 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.447 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.39 151.89 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 -179.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.22 147.63 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.46 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.65 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 122.71 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -109.89 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.7 132.99 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -142.53 93.41 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.33 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.18 133.45 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.782 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -111.89 135.18 52.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -118.66 164.9 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.499 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.0 t30 -82.76 155.7 24.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.46 -47.58 38.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.88 72.47 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.499 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 33.9 m -154.31 114.36 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.91 82.03 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.3 pt -131.25 159.19 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HZ1' ' CD ' ' A' ' 103' ' ' GLU . 25.1 pttm -142.35 -170.6 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -112.47 140.39 47.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.3 mt -99.93 -100.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.16 -144.38 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.36 -5.0 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.0 m -45.6 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -83.05 122.12 27.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 46.3 tp -114.99 130.13 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HG3' HE22 ' A' ' 82' ' ' GLN . 21.2 pt-20 -152.19 152.64 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.92 151.35 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.4 HE22 ' HG3' ' A' ' 80' ' ' GLU . 28.7 mm-40 -100.96 173.4 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.31 -33.66 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.677 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -64.27 -25.55 68.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.561 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.677 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 103.17 56.69 0.78 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.5 mt-10 -141.67 152.39 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -105.49 138.95 40.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 93.5 t -127.47 136.7 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.09 107.53 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.6 p -116.95 144.91 44.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.1 p -161.85 150.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.469 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.26 134.45 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.35 126.09 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.453 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -85.2 159.55 56.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.25 154.57 73.65 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.779 2.319 . . . . 0.0 112.126 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m 58.83 15.76 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.468 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -136.12 152.62 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' HG22 ' A' ' 20' ' ' THR . 3.1 m -130.33 136.23 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -132.75 158.73 41.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.0 mmm -83.62 152.05 25.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.2 t80 -111.29 -100.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.4 pp -126.5 163.46 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' CD ' ' HZ1' ' A' ' 72' ' ' LYS . 83.4 tt0 -142.98 153.14 42.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.35 -156.88 20.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -95.46 138.07 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.18 136.09 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.783 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -149.6 117.48 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.335 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.1 97.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -146.88 161.85 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -114.89 128.51 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.263 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.3 m -111.76 133.27 54.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -139.32 123.73 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.264 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -130.3 169.43 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.992 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.9 t0 -158.41 171.89 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.304 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -123.84 87.53 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.705 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.71 150.25 53.05 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.7 146.34 48.5 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.872 2.381 . . . . 0.0 112.065 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 122' ' ' TYR . 14.2 mt -67.51 139.37 56.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.459 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.6 t -123.16 -161.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.597 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.2 -32.64 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.71 -39.86 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.415 ' CG ' HD22 ' A' ' 118' ' ' LEU . 24.6 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.773 0.32 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.62 -58.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.569 ' N ' HG22 ' A' ' 15' ' ' VAL . 71.0 m-80 -63.92 -28.81 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.629 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.76 171.95 31.63 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -94.3 149.93 37.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.0 138.61 18.52 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.864 2.376 . . . . 0.0 112.2 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -77.7 -13.69 59.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -114.92 130.51 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.49 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.57 123.6 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.25 -105.39 2.96 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -148.33 -54.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.553 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -95.2 126.95 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.596 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -118.97 137.09 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.47 135.58 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' CD ' ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -86.57 110.76 20.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.499 -179.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.3 -51.15 49.07 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -89.22 131.02 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.585 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.8 16.09 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -117.13 148.89 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 35' ' ' GLY . 60.7 m-20 59.51 -159.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.519 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.516 ' C ' ' H ' ' A' ' 36' ' ' LEU . 22.4 m120 -72.08 36.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 72.33 -22.35 0.82 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 34' ' ' ASN . 26.3 mt 60.36 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.569 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.1 tp -104.11 134.59 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -112.23 123.7 50.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -81.12 107.8 14.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.576 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.96 132.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.507 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.85 127.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -105.81 103.48 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.589 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -54.39 -33.48 59.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.688 ' HZ2' ' HG2' ' A' ' 45' ' ' LYS . 21.5 ttpp -45.32 -65.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HG2' ' HZ2' ' A' ' 44' ' ' LYS . 42.4 mmtm -102.48 -1.84 29.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER 55.97 36.78 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.669 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -98.08 125.94 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -83.28 144.66 29.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.11 152.54 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.405 ' CD1' HD21 ' A' ' 37' ' ' LEU . 75.1 m-85 -129.5 139.06 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.757 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -124.23 113.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.468 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 61.0 t-20 -79.82 135.09 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 22.0 p-10 -109.72 -43.09 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.528 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 16.9 p -57.4 128.96 39.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.9 p -98.89 11.33 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.81 -35.22 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.681 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 5.7 m-85 -116.41 144.84 43.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.705 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -92.44 145.45 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.83 119.28 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.06 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 116' ' ' LEU . 50.5 m-70 -107.58 121.14 44.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.335 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.1 t -101.99 133.76 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.1 tp -142.81 91.54 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 130.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.6 m -109.02 136.18 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.16 160.85 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.763 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.9 t30 -82.38 155.39 24.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -48.09 -43.05 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.5 m-20 -78.35 69.86 4.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.513 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.2 m -153.7 115.67 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -78.77 80.08 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.9 pt -127.55 160.86 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.29 -169.76 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -112.25 141.61 45.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.9 mt -102.69 -99.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.65 -141.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -71.97 -6.57 42.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -44.63 116.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -80.09 122.67 27.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 41.4 tp -114.03 129.51 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HG3' HE22 ' A' ' 82' ' ' GLN . 21.3 pt-20 -151.46 153.3 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -108.48 151.64 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.4 HE22 ' HG3' ' A' ' 80' ' ' GLU . 23.6 mm-40 -103.67 168.53 9.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.481 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.53 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.681 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.21 -25.59 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.681 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.83 55.16 0.89 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.47 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.0 mt-10 -141.62 149.65 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.579 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -102.32 138.38 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 88.2 t -124.22 136.35 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.45 105.71 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.2 p -117.69 146.04 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.621 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.86 146.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.52 135.78 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.656 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 t -116.38 129.0 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.457 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -91.32 155.31 44.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -61.61 155.72 51.73 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.28 . . . . 0.0 112.043 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.9 t 59.95 9.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.06 148.56 52.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -128.9 138.19 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -134.93 156.52 48.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.7 mtp -83.62 154.31 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.653 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -109.38 -100.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -133.81 161.41 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.3 pt-20 -137.08 -178.02 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.614 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 -157.46 18.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -95.59 135.59 37.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 0.0 110.425 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.17 129.8 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.457 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 5.6 t30 -134.79 121.1 20.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.321 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.66 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -140.1 163.93 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -127.6 127.36 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.391 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -103.96 135.28 45.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -139.92 122.1 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.217 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -128.23 168.31 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 111.018 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -155.5 173.1 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.298 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.39 88.83 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 60' ' ' HIS . 9.8 mt -90.25 150.3 42.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.97 142.63 31.62 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.834 2.356 . . . . 0.0 112.136 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.91 109.92 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.9 m -80.74 -175.35 5.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.46 -26.59 65.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.413 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.53 -39.32 79.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.468 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.389 179.716 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.738 0.304 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -129.02 -55.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.621 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 69.4 m-80 -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.632 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.21 175.39 25.38 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -86.14 154.59 57.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.59 143.59 63.1 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.859 2.373 . . . . 0.0 112.204 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 m -72.96 -25.37 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -106.58 134.7 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.33 132.73 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.08 -109.57 2.25 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -148.43 -60.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.562 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -92.83 128.01 38.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.08 134.12 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -141.83 134.85 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -77.81 135.07 37.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.61 -59.28 2.39 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -84.7 126.22 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.602 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.2 -20.25 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -73.0 154.94 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 52.61 -170.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -52.86 -36.5 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 162.2 -21.9 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 30.4 mt 60.57 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.566 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.0 tp -104.94 130.44 53.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.46 122.78 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.495 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' THR . 66.1 ttp85 -78.43 107.97 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -97.11 131.93 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.6 129.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.6 t-20 -106.07 101.63 11.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -52.42 -33.55 44.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HZ2' ' HB3' ' A' ' 44' ' ' LYS . 17.2 mtpp -49.41 -70.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 92.9 mttt -92.89 -4.86 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 56.62 38.04 29.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.71 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -100.34 124.17 45.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.478 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.417 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 29.9 m0 -81.27 146.77 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.13 29.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.492 ' CD2' HG21 ' A' ' 61' ' ' VAL . 75.2 m-85 -124.44 136.64 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.592 ' O ' HD12 ' A' ' 37' ' ' LEU . 27.3 t80 -122.69 123.2 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -91.73 125.57 36.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.743 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 29.5 p-10 -99.4 -35.88 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.527 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -58.23 122.83 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.673 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 51.3 p -96.12 12.86 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.673 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -124.32 -14.48 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.603 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.412 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 2.7 m-85 -139.89 142.96 36.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.653 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 11.7 pm0 -92.01 147.38 23.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.614 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.07 120.3 35.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.746 -179.551 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.445 ' NE2' HD12 ' A' ' 116' ' ' LEU . 24.1 m-70 -101.98 123.09 45.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.339 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 50' ' ' TYR . 55.2 t -102.81 126.42 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.795 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.6 tp -141.48 91.3 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.307 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -113.05 132.06 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.1 m -109.91 133.26 53.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.377 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -117.46 160.17 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.4 t30 -81.76 156.53 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -47.56 -42.73 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.454 ' C ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -78.6 69.64 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.85 112.39 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.623 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -80.0 77.9 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.3 pt -117.36 155.9 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 103' ' ' GLU . 30.5 ttpt -126.17 166.94 16.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.648 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -104.16 136.67 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -114.35 173.09 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.6 -137.46 1.78 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.08 -3.12 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.524 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.2 m -46.0 120.91 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.74 128.05 34.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 51.1 tp -120.85 130.09 53.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.422 ' HG3' HE22 ' A' ' 82' ' ' GLN . 20.4 pt-20 -152.07 153.24 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.515 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' C ' ' NE2' ' A' ' 82' ' ' GLN . 60.4 tt0 -106.92 152.28 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.422 HE22 ' HG3' ' A' ' 80' ' ' GLU . 17.5 mm-40 -106.12 168.33 9.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -64.07 -36.99 85.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.716 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.01 -24.84 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.716 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.39 53.59 1.14 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.1 mt-10 -139.32 151.5 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -103.27 143.39 32.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.476 ' O ' HD12 ' A' ' 79' ' ' LEU . 91.5 t -129.87 131.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.94 107.73 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -120.33 143.57 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.55 138.79 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.407 HG22 ' ND1' ' A' ' 60' ' ' HIS . 66.1 t -97.8 136.11 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.2 t -117.59 130.2 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -90.2 157.15 45.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.47 153.92 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.704 2.269 . . . . 0.0 112.124 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m 58.98 16.42 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -137.84 143.7 41.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.551 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 m -127.42 125.71 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -120.25 164.07 16.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.2 mmm -85.38 154.62 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.641 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -114.91 -103.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.724 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.14 157.47 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 72' ' ' LYS . 83.5 tt0 -135.7 156.08 49.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.33 -160.38 14.32 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -91.29 139.83 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.381 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.2 t -113.35 132.15 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.751 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' GLY . 3.4 t30 -138.76 121.04 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.89 98.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 106' ' ' VAL . 26.5 p90 -146.2 157.14 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.746 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 133.59 55.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.342 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 m -112.02 133.78 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -138.09 121.46 17.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.237 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.7 mtm -130.84 160.98 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.969 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -155.28 170.27 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.29 92.73 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.764 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.445 HD12 ' NE2' ' A' ' 60' ' ' HIS . 21.6 mt -88.81 165.86 25.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.468 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 4.0 Cg_exo -82.48 132.52 6.87 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.915 2.41 . . . . 0.0 112.17 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 mt -54.54 111.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.437 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -83.8 -174.49 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -57.05 -30.42 64.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.44 -38.15 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 34.1 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.393 179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 87.0 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.09 -57.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.6 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.55 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 83.2 m-20 -69.34 -26.13 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.62 -178.66 32.96 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.6 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 25.5 mmm-85 -105.06 139.78 20.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.514 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -47.07 145.45 7.41 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.827 2.351 . . . . 0.0 112.206 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.2 m -75.79 -32.29 59.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -91.58 138.61 31.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 158.79 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.53 -129.01 1.12 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -144.88 -66.58 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -88.09 127.63 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -122.79 131.55 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.81 143.5 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -83.77 135.16 34.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.68 -58.52 3.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -86.76 134.54 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.62 -4.83 57.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -102.65 160.42 14.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.474 ' CB ' HD21 ' A' ' 36' ' ' LEU . 79.7 m-20 57.01 -162.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.482 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.68 43.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.561 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.25 -28.24 0.82 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 34' ' ' ASN . 29.0 mt 61.65 -77.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.8 tp -103.88 131.22 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -109.4 128.88 55.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -82.71 111.56 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.61 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -97.14 128.04 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.506 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.61 129.44 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.598 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.82 101.66 10.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -55.19 -31.46 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.74 -65.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -91.88 -5.82 52.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.28 39.39 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -108.91 126.91 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.484 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 35.4 m0 -84.32 148.21 26.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.39 150.16 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' CD1' HD21 ' A' ' 37' ' ' LEU . 58.9 m-85 -128.02 140.32 52.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.724 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . 25.9 t80 -126.46 123.83 38.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.449 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -87.06 114.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.55 ' OD2' ' ND2' ' A' ' 16' ' ' ASN . 21.9 t70 -86.72 -36.2 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.8 p -62.14 133.36 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.559 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 p -103.42 8.03 38.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.564 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -111.34 -42.26 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.2 149.67 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.4 pt-20 -92.05 148.46 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.459 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.22 121.32 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.716 -179.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.406 ' CE1' HD12 ' A' ' 116' ' ' LEU . 41.4 m-70 -110.71 118.15 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.363 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.58 133.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.78 91.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.347 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.45 132.37 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -109.93 132.3 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.418 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -115.76 159.77 20.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.693 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.553 HD22 ' CG ' ' A' ' 68' ' ' ASP . 22.0 t30 -79.06 157.03 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -49.49 -50.9 39.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.556 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 53.9 p30 -73.22 72.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.566 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 31.5 m -153.84 114.86 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.618 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.1 t0 -75.18 82.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.466 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.3 pt -127.47 161.02 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 9.6 ttpp -148.25 160.21 43.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -86.35 153.61 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 103' ' ' GLU . 96.6 mt -112.64 -104.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 77' ' ' THR . . . -109.48 135.14 12.67 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -178.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 66.31 -55.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 110.488 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' GLY . 92.0 m -46.93 121.76 3.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -93.83 127.58 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 60.4 tp -110.19 132.35 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -150.77 146.3 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.49 152.63 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -107.54 169.54 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.711 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.53 -25.15 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.631 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.711 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.42 53.97 1.11 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.459 ' HB2' HD21 ' A' ' 84' ' ' ASN . 99.0 mt-10 -137.6 144.24 41.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.588 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -99.57 137.8 37.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.2 t -123.83 132.76 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.95 107.87 5.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.474 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -118.31 145.42 45.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -161.17 138.54 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.62 132.0 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.8 t -113.52 133.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.478 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -95.5 153.01 39.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.47 154.46 24.47 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.784 2.323 . . . . 0.0 112.064 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m 54.65 21.31 3.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -138.74 155.26 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -138.96 120.23 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -113.21 165.78 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.408 ' HB2' ' H ' ' A' ' 75' ' ' GLY . 86.7 mmm -86.59 148.53 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -110.38 -103.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -129.72 162.56 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.551 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.509 ' CD ' HD21 ' A' ' 74' ' ' LEU . 22.2 pt-20 -134.94 -178.72 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.17 -160.65 20.71 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 70' ' ' ASP . 73.2 ttt-85 -95.15 142.39 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.431 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.484 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.2 t -124.27 135.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -148.41 117.58 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.3 p90 -152.93 155.36 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -105.43 133.2 50.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.292 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.2 m -114.06 135.61 53.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -136.97 116.85 13.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.224 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -125.42 162.56 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.017 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 38.1 t0 -158.27 171.57 19.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.299 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.05 88.8 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.406 HD12 ' CE1' ' A' ' 60' ' ' HIS . 13.7 mt -86.55 161.89 46.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.451 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 12.6 Cg_exo -70.94 152.92 63.64 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.811 2.341 . . . . 0.0 112.162 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 mt -79.69 109.85 14.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.516 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.1 m -74.67 176.36 7.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -55.02 -30.65 59.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -54.68 -38.11 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.719 0.295 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.93 -58.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.614 -179.142 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' VAL . 82.4 m-20 -64.3 -26.84 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.634 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 166.62 158.47 11.22 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.606 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -89.94 154.2 47.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.505 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -76.69 132.58 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.836 2.357 . . . . 0.0 112.222 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -67.59 -30.75 70.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.515 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.481 ' O ' HD13 ' A' ' 40' ' ' ILE . 65.9 t80 -105.66 130.93 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.45 126.72 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA2' HD22 ' A' ' 42' ' ' ASN . . . -106.77 -111.85 3.62 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -142.85 -59.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.305 . . . . 0.0 110.641 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -84.92 110.11 18.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -110.76 145.81 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.619 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.37 171.61 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -127.52 101.65 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.05 -68.66 0.6 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -74.75 129.48 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.581 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -86.07 7.21 25.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -104.68 157.78 16.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 57.0 -171.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 34' ' ' ASN . 2.4 m120 -50.79 -32.94 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.63 -23.92 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 22.4 mt 61.38 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.592 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' GLY . 58.7 tp -108.16 126.73 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -112.37 126.04 54.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -87.63 126.34 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' PHE . 19.2 mt -114.84 128.21 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.46 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 48' ' ' TRP . 44.2 t -131.13 127.99 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -106.97 102.8 12.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.8 -29.9 55.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -69.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -90.62 -4.22 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 55.35 34.68 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -103.14 126.59 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.3 m0 -83.98 145.58 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.6 152.73 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.97 143.22 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.784 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 17' ' ' GLY . 64.5 t80 -125.76 128.71 48.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.592 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 20.3 t-20 -95.44 139.01 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.624 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 54' ' ' THR . 28.1 p-10 -113.44 -40.58 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.576 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.28 117.47 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.471 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 43.3 p -90.73 7.87 37.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -120.61 -19.86 7.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.64 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -134.26 141.52 47.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.649 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.597 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.5 pm0 -91.63 145.73 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.46 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.592 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -95.98 116.92 29.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.478 ' CE1' HD12 ' A' ' 116' ' ' LEU . 22.0 m-70 -95.03 126.55 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.375 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.61 129.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.778 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.7 tp -142.55 91.76 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.331 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.18 134.5 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.0 m -110.86 138.27 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.394 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.97 166.33 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.702 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.573 HD22 ' CG ' ' A' ' 68' ' ' ASP . 24.2 t30 -84.34 156.71 21.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -49.23 -51.71 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.573 ' CG ' HD22 ' A' ' 66' ' ' ASN . 48.0 p30 -74.81 74.98 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.584 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 35.4 m -153.55 114.45 4.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.88 80.7 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -123.45 153.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 72' ' ' LYS . 14.3 mtpp -130.03 175.25 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.666 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -109.23 135.67 49.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.497 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' GLY . 75.5 mt -101.36 -98.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.17 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -63.3 2.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 75' ' ' GLY . 97.8 m -49.93 116.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -77.78 120.43 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 88' ' ' VAL . 44.4 tp -115.21 130.58 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' HG3' HE22 ' A' ' 82' ' ' GLN . 18.6 pt-20 -155.43 156.85 36.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.33 151.27 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.408 HE22 ' HG3' ' A' ' 80' ' ' GLU . 22.9 mm-40 -104.05 168.36 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.12 -35.25 80.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.705 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -60.9 -25.46 66.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.705 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 100.99 56.62 0.88 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HB2' HD21 ' A' ' 84' ' ' ASN . 96.6 mt-10 -143.97 150.03 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.66 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -103.87 136.5 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.472 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.9 t -122.4 139.67 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.5 103.22 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.0 p -114.69 144.07 44.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.75 143.25 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.481 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.431 HG22 ' ND1' ' A' ' 60' ' ' HIS . 59.3 t -99.5 135.53 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -112.96 130.32 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -94.63 151.01 38.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.31 149.71 89.74 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.792 2.328 . . . . 0.0 112.184 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 t 63.6 20.06 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -146.56 134.08 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.528 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 m -111.93 135.15 52.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -128.5 157.49 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.3 mtp -82.66 154.41 24.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.5 -101.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.738 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -131.53 160.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.5 pt-20 -133.81 -177.62 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.81 -157.98 20.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.95 146.91 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 110.439 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -132.96 137.64 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.584 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.4 p30 -139.71 122.38 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.5 97.96 0.01 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -138.54 157.76 45.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' H ' ' HD2' ' A' ' 110' ' ' LYS . 2.4 mptp? -108.17 130.42 55.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.357 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 m -114.44 132.54 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -137.43 126.24 24.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.211 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.415 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -135.33 166.4 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 7.2 t70 -156.33 169.9 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -120.98 93.33 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.748 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' A' ' 60' ' ' HIS . 7.6 mt -91.96 151.49 42.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.472 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 132.95 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.861 2.374 . . . . 0.0 112.158 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.48 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.6 mt -51.65 114.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.402 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.7 m -83.65 -171.54 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.55 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.96 -31.74 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -54.98 -41.02 70.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.51 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 62.6 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.639 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD ' ' A' ' 19' ' ' PRO . 52.1 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.762 0.315 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.519 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.53 -57.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.615 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.3 m-20 -67.24 -27.29 67.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.95 171.41 30.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -92.76 148.87 36.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.562 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CE2' ' A' ' 14' ' ' TYR . 52.1 Cg_endo -71.23 137.69 31.74 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.821 2.347 . . . . 0.0 112.243 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -75.07 -10.81 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -120.61 137.71 54.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.92 126.11 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 -105.17 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -146.42 -57.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -94.95 128.14 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -122.16 135.39 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.14 131.72 30.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -85.76 118.65 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -79.65 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -83.24 122.02 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.603 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.18 -28.83 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -63.87 156.45 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.466 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.468 ' CB ' HD21 ' A' ' 36' ' ' LEU . 44.1 m-20 60.97 -159.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -82.03 20.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 99.39 -21.55 44.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 33' ' ' ASP . 27.5 mt 60.24 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 110.598 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.1 tp -112.22 133.68 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.626 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -104.72 127.69 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -85.56 97.87 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -87.8 131.19 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.506 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 48' ' ' TRP . 46.4 t -135.91 126.11 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 12.5 t-20 -104.81 100.74 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -54.14 -29.54 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.79 -70.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.4 mttp -90.8 -4.19 56.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 56.28 32.89 21.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.09 124.16 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.44 ' CD1' HG13 ' A' ' 41' ' ' VAL . 40.2 m0 -84.74 145.43 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.77 151.02 39.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.421 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 37' ' ' LEU . 62.0 m-85 -127.56 138.5 52.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.732 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' O ' HD12 ' A' ' 37' ' ' LEU . 36.8 t80 -121.59 120.3 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -87.81 132.59 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.552 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 25.5 p-10 -109.31 -38.18 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.4 p -57.55 123.57 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.519 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 72.7 p -96.95 9.69 41.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.676 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.519 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -123.11 -15.31 7.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.83 146.43 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.14 146.46 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.36 118.33 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 -179.462 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 116' ' ' LEU . 50.5 m-70 -106.26 121.03 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.329 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.6 t -104.85 133.11 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.791 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 tp -142.57 92.07 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.33 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 134.56 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.2 m -112.51 135.47 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -118.87 163.82 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.683 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.9 t30 -80.9 155.75 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.587 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -49.34 -46.21 46.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.2 m-20 -77.69 72.25 4.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.3 114.66 4.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -75.59 81.8 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.14 161.83 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 -173.22 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -113.11 137.27 51.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 75' ' ' GLY . 71.2 mt -99.99 -97.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.52 -148.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -69.46 0.75 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 110.485 -179.672 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.2 m -49.16 119.18 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -80.99 121.85 26.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 53.4 tp -116.25 129.48 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -152.06 152.91 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.414 HE21 ' HA2' ' A' ' 85' ' ' GLY . 63.3 tt0 -108.25 150.97 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -106.02 167.0 10.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.82 -36.67 81.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.706 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.43 -25.31 67.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.706 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 98.85 54.39 1.13 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 84' ' ' ASN . 80.7 mm-40 -135.63 141.58 45.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 110.673 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -98.32 131.96 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.475 ' O ' HD12 ' A' ' 79' ' ' LEU . 86.6 t -119.77 133.89 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.44 104.29 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -116.47 144.57 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.4 142.01 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.54 133.56 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.94 129.92 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.39 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -90.8 157.58 43.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.497 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.82 154.14 75.15 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.718 2.279 . . . . 0.0 112.066 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.2 m 60.0 17.33 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -143.23 145.92 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.494 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -124.77 138.85 54.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -132.57 158.32 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.683 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.7 mtp -83.26 154.56 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.56 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.93 -101.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -128.14 159.7 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.4 tt0 -138.38 153.23 48.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 127.3 -160.09 21.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -92.76 137.12 32.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.44 136.48 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.736 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 8.5 p30 -140.01 121.75 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.263 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.56 97.88 0.01 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -137.18 155.63 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.695 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -106.4 125.14 50.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.362 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -109.21 136.93 47.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -136.61 118.17 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 79.0 mtm -125.03 171.09 10.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.6 t0 -166.59 172.62 10.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.35 87.44 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.715 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 60' ' ' HIS . 10.7 mt -86.46 150.66 51.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.09 149.51 58.55 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.794 2.329 . . . . 0.0 112.161 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.98 119.7 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.386 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.7 m -86.67 -177.38 6.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.48 -26.02 64.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.75 -41.72 87.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.486 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.441 179.579 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.735 0.302 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.83 -57.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.7 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 83.0 m-20 -71.12 -24.57 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.645 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.51 170.73 24.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -100.35 133.25 21.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -46.73 147.47 4.56 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.773 2.316 . . . . 0.0 112.235 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -78.69 -7.47 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -122.62 136.15 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.83 127.62 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.505 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.28 3.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -146.34 -58.3 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.377 . . . . 0.0 110.644 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -94.46 129.47 41.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -118.49 137.66 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -144.26 133.39 22.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.681 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -89.21 138.42 31.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.42 -71.95 1.14 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -74.92 136.16 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.612 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -93.49 55.51 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -144.99 144.89 31.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.2 t0 62.99 -138.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.505 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 80.8 m-20 -86.57 10.03 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.83 -23.26 32.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt 60.47 -75.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.642 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 61.1 tp -100.81 131.1 46.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.06 131.69 55.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.476 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 27' ' ' THR . 57.7 ttp180 -89.84 103.34 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -91.16 129.37 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.56 127.35 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.6 t-20 -105.9 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -54.61 -32.21 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.82 -70.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -94.56 -3.82 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 58.34 32.82 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -97.27 129.99 44.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.486 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -85.42 141.31 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -138.28 144.13 40.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.357 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' HG21 ' A' ' 61' ' ' VAL . 52.1 m-85 -122.16 136.42 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.74 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -125.14 123.79 40.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -87.47 114.88 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.547 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 30.1 t70 -83.78 -39.22 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.497 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 p -58.73 129.19 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.719 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 27.8 p -102.61 17.55 23.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.719 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.79 -17.34 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.648 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -135.87 145.99 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.593 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.3 pm0 -91.87 136.67 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -87.98 116.82 26.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.624 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.457 ' NE2' HD12 ' A' ' 116' ' ' LEU . 25.6 m-70 -95.5 130.08 42.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.424 HG21 ' CD2' ' A' ' 50' ' ' TYR . 74.2 t -106.96 127.33 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.9 tp -143.31 92.8 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.32 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.82 133.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.6 m -108.96 138.92 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -122.18 164.2 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.734 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.9 t30 -85.89 155.43 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.62 -44.93 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 90.7 m-20 -76.99 69.73 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.489 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.8 m -153.89 112.37 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.14 81.78 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.44 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.3 pt -123.0 159.66 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 47.3 tttp -134.99 164.24 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -97.76 142.32 29.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt -119.69 166.89 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.51 -132.58 15.54 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -93.88 -7.53 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 110.533 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -44.38 124.21 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.506 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -85.88 130.02 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 43.0 tp -121.21 128.91 52.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -151.05 148.63 28.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -103.59 148.82 25.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -101.54 169.32 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -65.22 -37.65 87.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.725 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -57.54 -24.7 57.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.593 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.725 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 100.55 51.63 1.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.472 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.4 mt-10 -138.84 151.9 47.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.555 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -103.55 140.49 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.2 t -124.39 133.46 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.14 106.72 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.0 p -119.94 144.39 47.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -161.89 137.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.475 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.422 HG22 ' ND1' ' A' ' 60' ' ' HIS . 90.5 t -94.13 136.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.8 t -116.8 127.5 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -90.03 153.72 47.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.92 151.5 64.86 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.687 2.258 . . . . 0.0 112.123 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 32.3 m 58.41 32.73 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.442 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 99' ' ' GLU . 62.4 tt0 -149.34 155.64 40.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -138.37 118.46 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 73.3 mm-40 -115.16 163.69 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.658 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 87.5 mmm -83.78 154.41 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -117.4 -100.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -130.9 156.78 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -132.92 -177.4 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.54 -156.0 20.22 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -96.86 144.69 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.494 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.62 137.52 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.739 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -144.6 119.31 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.33 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.39 101.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -144.04 158.63 43.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.781 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.5 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -106.81 127.88 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.28 179.163 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -112.84 135.94 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -141.94 124.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.261 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -135.4 165.08 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.7 t70 -155.7 169.24 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.334 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.89 93.54 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.757 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.457 HD12 ' NE2' ' A' ' 60' ' ' HIS . 5.8 mt -90.98 151.72 43.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.483 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.471 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 134.12 17.46 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.839 2.359 . . . . 0.0 112.101 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.542 HD23 ' OE1' ' A' ' 58' ' ' GLU . 13.9 mt -54.33 121.04 7.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.0 m -95.14 -163.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -62.93 -33.13 74.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.73 -39.33 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.0 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.716 0.293 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.18 -52.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.3 m-20 -80.78 2.3 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.646 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.65 165.28 11.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -93.46 137.97 23.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.479 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -44.33 148.52 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -74.73 -28.18 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -94.09 141.61 28.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.55 158.19 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.71 -143.03 3.57 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -139.05 -66.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -76.84 112.68 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.622 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.35 130.87 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 t -146.48 159.47 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 44.3 pttt -97.54 134.27 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.2 -66.5 2.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -80.18 146.19 31.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.549 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -87.72 8.93 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -98.35 157.26 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 50.38 -169.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.519 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.92 -33.48 50.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.569 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 157.52 -18.42 0.37 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 33.0 mt 60.29 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.829 0.347 . . . . 0.0 110.621 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.0 tp -105.34 130.59 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -110.85 129.45 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.466 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -89.06 103.28 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.3 mt -95.37 125.81 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.65 132.44 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.1 t-20 -110.1 102.07 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -55.51 -29.7 59.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HZ2' ' HG3' ' A' ' 45' ' ' LYS . 23.9 ttpp -53.83 -54.34 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -107.0 -2.07 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER 55.67 28.81 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -97.34 124.84 41.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.478 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -82.55 147.82 28.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.2 146.32 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.47 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.449 ' CD2' HG21 ' A' ' 61' ' ' VAL . 37.7 m-85 -124.36 139.62 53.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.749 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -127.78 128.48 45.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.3 t-20 -94.34 124.68 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 54' ' ' THR . 30.4 p-10 -96.48 -37.78 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.557 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.91 118.75 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -88.42 2.42 52.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.659 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.479 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 7.7 tt0 -109.18 -43.97 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -115.49 146.08 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.639 -179.607 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.618 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.9 pm0 -92.16 149.05 21.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.608 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -97.21 117.81 32.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.329 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.49 ' NE2' HD12 ' A' ' 116' ' ' LEU . 20.8 m-70 -97.33 126.65 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.359 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.449 HG21 ' CD2' ' A' ' 50' ' ' TYR . 54.8 t -102.4 130.44 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.6 tp -142.83 91.45 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.32 130.0 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -107.92 134.85 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.402 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -118.26 165.59 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.695 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 41.3 t30 -80.53 154.96 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.584 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -47.55 -49.81 25.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.7 t70 -78.33 78.81 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.9 m -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' ARG . 66.1 m-20 -77.85 81.08 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.408 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.5 ttmt -129.48 163.44 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -103.08 131.93 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 103' ' ' GLU . 19.5 mt -109.98 169.6 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.625 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.8 -137.54 1.85 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -84.98 -2.6 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.509 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -45.11 113.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.541 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -82.57 122.5 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.503 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 56.0 tp -117.18 130.47 56.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.402 ' HG3' HE22 ' A' ' 82' ' ' GLN . 18.8 pt-20 -152.9 155.04 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.497 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -105.56 151.8 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.402 HE22 ' HG3' ' A' ' 80' ' ' GLU . 29.5 mm-40 -103.96 168.03 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -65.09 -36.41 84.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.693 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.49 -25.64 67.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.693 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.29 59.24 0.8 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.3 mt-10 -144.47 151.95 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.334 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -104.0 139.33 39.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.505 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 89.9 t -127.72 134.4 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.32 105.34 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.498 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -116.52 144.66 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.69 147.26 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.482 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.445 HG22 ' CE1' ' A' ' 60' ' ' HIS . 92.2 t -101.96 134.77 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.3 t -112.85 128.91 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.486 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -92.48 153.16 42.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.525 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 19.0 Cg_endo -58.73 161.17 15.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.742 2.295 . . . . 0.0 112.094 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 11.5 p 43.5 28.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -148.79 129.18 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -108.41 136.76 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.509 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -128.37 164.16 23.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.94 155.45 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -118.21 -103.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.718 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.64 155.74 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 72' ' ' LYS . 82.1 tt0 -133.78 158.14 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' N ' ' CG ' ' A' ' 103' ' ' GLU . . . 118.01 -160.41 13.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ASP . 61.8 ttt180 -92.58 141.58 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 110.426 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -124.08 136.99 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.73 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -148.84 117.87 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.05 99.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CD1' HG12 ' A' ' 106' ' ' VAL . 30.1 p90 -152.59 156.84 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.736 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -110.01 135.58 50.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.327 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -114.47 134.35 55.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -139.59 126.0 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.303 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -132.68 171.72 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -163.33 171.83 15.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.426 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.16 94.62 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.738 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.49 HD12 ' NE2' ' A' ' 60' ' ' HIS . 6.2 mt -92.19 152.1 42.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.456 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 59.0 Cg_endo -73.8 132.0 16.55 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.84 2.36 . . . . 0.0 112.134 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.431 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 15.7 mt -52.63 115.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.9 m -85.63 -171.01 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.679 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -62.49 -26.8 68.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.486 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 20.2 pt-20 -58.26 -41.64 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' N ' ' CG ' ' A' ' 121' ' ' GLU . 46.3 t80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.443 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.722 0.296 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.07 -60.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.624 -179.097 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.588 ' N ' HG22 ' A' ' 15' ' ' VAL . 72.4 m-20 -64.16 -27.28 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.97 162.61 17.7 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -91.43 150.29 41.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.509 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.13 137.76 35.13 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -74.78 -4.62 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -128.67 138.93 52.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.55 127.17 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.601 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.95 -111.14 3.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -145.89 -60.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.556 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.17 116.81 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.71 135.97 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 172.27 13.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -119.45 98.4 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.51 -71.2 0.28 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -75.75 134.5 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -88.74 5.2 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 20.3 tptp -102.57 150.11 23.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 35' ' ' GLY . 73.8 m-20 58.36 -162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 36' ' ' LEU . 19.5 t-20 -71.37 40.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.583 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.32 -21.47 1.1 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 34' ' ' ASN . 46.9 mt 60.53 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.665 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.2 tp -103.46 135.43 45.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.634 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.23 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -89.66 99.92 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.2 mt -89.57 131.7 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -133.7 127.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.44 104.52 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.17 -32.43 66.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -50.18 -55.71 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 30.4 mmtp -107.12 -5.08 18.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 57.71 31.1 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.715 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -98.06 124.53 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.8 m0 -82.1 144.8 30.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.6 145.94 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.417 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.487 ' CD1' HD21 ' A' ' 37' ' ' LEU . 68.9 m-85 -122.68 138.18 54.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.716 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' HD12 ' A' ' 37' ' ' LEU . 56.8 t80 -122.5 128.94 51.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.462 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -95.7 120.29 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.632 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 20.3 p-10 -86.91 -37.43 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.503 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 36.1 p -57.31 165.41 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.8 p -128.69 7.02 5.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' CG ' ' CE2' ' A' ' 57' ' ' TYR . 9.3 pt20 -139.95 2.77 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 80.8 m-85 -126.18 130.8 51.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 6.6 pt-20 -91.68 133.68 35.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.496 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.24 123.74 35.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 -178.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.437 ' ND1' HG22 ' A' ' 92' ' ' VAL . 41.9 m-70 -109.75 118.17 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -98.86 132.2 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.75 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.0 tp -142.43 93.13 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.334 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.94 135.24 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -108.25 140.88 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.32 166.33 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.7 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.7 t30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.8 -51.62 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 86.3 m-20 -78.85 79.19 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.588 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 39.1 m -153.96 114.52 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.9 t0 -76.73 81.55 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -122.54 156.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 103' ' ' GLU . 15.1 ttmt -130.55 162.83 28.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -101.93 132.75 47.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.61 172.22 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.18 -138.57 1.8 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.8 5.93 47.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.51 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -49.75 121.06 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -79.97 126.48 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 49.4 tp -121.98 129.16 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -153.01 148.0 26.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -102.52 150.9 22.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -104.99 169.04 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -64.79 -38.01 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.709 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.93 -24.57 53.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.709 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.98 52.91 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.446 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.3 mt-10 -140.43 151.0 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.57 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -104.27 132.89 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.507 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.495 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.3 t -113.85 135.76 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.72 110.42 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.6 p -124.5 145.42 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.8 142.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.437 HG22 ' ND1' ' A' ' 60' ' ' HIS . 33.6 t -101.14 134.45 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.77 130.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.45 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.63 151.9 41.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.536 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.07 152.51 79.18 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.811 2.34 . . . . 0.0 112.038 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.6 t 61.0 28.04 17.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -156.02 156.06 33.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 m -128.29 137.76 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -128.49 158.37 38.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mmm -87.2 155.1 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.585 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 17.8 t80 -116.38 -103.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -122.07 161.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.4 tt0 -141.83 154.64 45.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.7 -156.51 16.57 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 37.6 ttm180 -96.6 141.65 29.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 110.523 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.436 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.2 t -128.18 137.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.801 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.588 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.8 p30 -137.37 122.27 18.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.47 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.73 156.44 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.767 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -108.54 129.26 55.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.275 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -110.91 135.53 51.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -137.17 125.87 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.246 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -133.33 167.25 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.972 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 37.1 t0 -153.31 172.31 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.517 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.97 88.98 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.729 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 60' ' ' HIS . 2.2 mt -95.84 157.14 36.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.488 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.431 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 74.1 Cg_endo -78.19 139.79 17.13 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.899 2.399 . . . . 0.0 112.131 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 122' ' ' TYR . 29.0 mt -41.35 102.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.445 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 171.14 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.98 -30.09 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.396 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -59.39 -36.14 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.467 ' CE2' HD13 ' A' ' 118' ' ' LEU . 62.2 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.315 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.18 -51.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 -179.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.551 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 80.4 m-20 -80.82 0.76 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.3 160.36 10.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -95.37 144.74 28.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.56 149.95 45.67 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.778 2.319 . . . . 0.0 112.198 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -82.68 -16.96 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 80.1 t80 -111.35 147.51 34.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.784 HG22 ' H ' ' A' ' 23' ' ' GLY . 10.6 p -134.05 176.78 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.784 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -160.18 -109.55 0.25 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -150.91 -60.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.603 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -89.58 110.45 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.6 135.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -135.94 171.34 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 31' ' ' GLU . 11.9 pttp -117.06 96.18 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -38.89 -66.9 0.61 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -81.39 118.79 22.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 0.0 110.61 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 78.0 mm-40 -68.94 -31.68 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.0 158.3 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 55.06 -172.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.454 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -54.46 -35.56 63.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.52 -23.14 0.35 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt 60.78 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.339 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.5 tp -113.13 127.76 56.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -109.67 125.36 52.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.533 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -79.57 127.74 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.5 mt -113.21 129.49 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.476 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.405 HG13 ' CD1' ' A' ' 48' ' ' TRP . 38.7 t -133.42 127.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.7 t-20 -108.76 101.91 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -53.71 -31.88 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.626 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HE2' HD21 ' A' ' 42' ' ' ASN . 45.2 mtmt -52.88 -66.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.604 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 57.1 mmtt -94.44 -11.09 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 63.34 30.8 15.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 -179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -96.77 127.51 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.405 ' CD1' HG13 ' A' ' 41' ' ' VAL . 38.3 m0 -88.65 145.23 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.37 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -122.35 139.17 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.775 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.597 ' O ' HD12 ' A' ' 37' ' ' LEU . 36.3 t80 -123.64 121.18 34.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -86.06 115.43 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.668 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.551 ' OD2' ' ND2' ' A' ' 16' ' ' ASN . 25.5 t70 -88.73 -37.85 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.461 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 p -58.59 125.39 23.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.702 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 33.1 p -99.81 16.79 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.702 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -130.02 -15.62 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -134.3 148.59 50.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -93.22 144.01 25.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.98 125.81 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.698 -179.188 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -112.61 125.7 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.2 t -109.16 132.1 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.819 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' NZ ' ' A' ' 112' ' ' LYS . 23.3 tp -144.09 92.77 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.317 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 65' ' ' PHE . 31.1 t -112.14 132.71 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.749 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -105.2 141.08 37.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.337 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CZ ' ' CG1' ' A' ' 63' ' ' VAL . 19.4 m-85 -126.93 163.5 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.474 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.8 t30 -89.93 152.39 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.561 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -43.07 -45.46 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 61.7 t0 -68.98 81.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.2 p -164.73 138.08 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.57 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -100.55 51.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 pt -100.17 157.49 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.619 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.22 -170.33 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -111.16 139.77 46.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.2 mt -100.95 -100.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.67 -140.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.83 -3.93 25.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 110.465 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -45.28 116.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -77.89 123.16 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 57.1 tp -117.32 130.97 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -156.0 147.59 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -103.14 150.71 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.632 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -107.88 170.94 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.542 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.82 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.724 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.79 -24.62 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.724 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.3 44.23 2.4 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.446 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.6 mt-10 -131.01 153.19 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.336 . . . . 0.0 110.578 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -105.36 132.0 52.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.482 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.0 t -108.46 128.62 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.99 101.88 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.6 p -119.46 144.23 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.644 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -162.21 142.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.444 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.33 132.95 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 t -114.72 130.72 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -90.87 156.37 44.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.456 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.49 153.06 69.03 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.723 2.282 . . . . 0.0 112.098 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.6 m 61.46 19.65 10.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -143.45 146.89 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -126.64 125.42 41.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -118.85 155.84 30.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.4 mtp -80.85 154.29 27.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -112.98 -95.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.533 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.3 pp -133.63 163.9 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.585 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.3 tt0 -142.75 156.15 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.54 -154.98 18.75 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -96.93 135.27 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.11 136.11 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.743 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 2.6 p-10 -147.02 116.98 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.351 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 54.65 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -155.55 161.73 40.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -115.27 132.54 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.352 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -115.23 134.21 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.49 ' NZ ' HD23 ' A' ' 62' ' ' LEU . 18.0 ttpp -134.94 110.49 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 178.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -118.21 162.05 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -154.86 173.43 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.349 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.473 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.07 88.43 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.64 151.15 47.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.6 139.46 37.36 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.813 2.342 . . . . 0.0 112.138 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CE2' ' A' ' 122' ' ' TYR . 58.1 mt -45.7 98.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.48 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.0 m -65.08 169.25 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.02 -28.48 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.4 -35.56 76.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.476 ' CE2' HD13 ' A' ' 118' ' ' LEU . 56.4 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.429 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.722 0.296 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -135.46 -57.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.5 m-20 -67.32 -27.61 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.79 170.32 28.54 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -89.36 149.26 42.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.48 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.28 135.92 23.39 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.808 2.339 . . . . 0.0 112.17 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 m -65.69 -32.02 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.6 138.65 42.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.16 133.84 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.52 -116.89 3.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -136.91 -61.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.586 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.63 128.01 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.72 137.82 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -133.45 171.38 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.409 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.0 95.45 5.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.41 -66.68 0.91 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -80.7 127.41 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -74.52 -18.33 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -76.7 156.64 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 53.72 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -54.03 -35.53 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.36 -19.48 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt 61.22 -78.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.65 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.9 tp -106.98 131.51 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -109.01 125.18 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -81.02 101.72 9.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -89.73 130.52 38.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 48' ' ' TRP . 57.3 t -136.08 128.36 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.597 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -105.18 102.13 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -53.27 -32.26 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.68 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -52.49 -68.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 65.1 mmtt -93.82 -6.47 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 58.65 32.85 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.2 pt20 -96.65 121.39 38.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.471 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.41 ' CD1' HG13 ' A' ' 41' ' ' VAL . 35.3 m0 -82.1 145.64 30.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.89 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.463 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CD1' HD21 ' A' ' 37' ' ' LEU . 62.1 m-85 -126.29 138.1 53.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.771 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.52 ' O ' HD12 ' A' ' 37' ' ' LEU . 35.5 t80 -120.05 116.82 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.481 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -84.92 124.22 31.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.554 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 16.0 p-10 -103.82 -36.54 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.524 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.5 p -60.72 115.51 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.3 p -85.68 -4.91 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.2 tt0 -100.26 -43.97 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.462 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.2 m-85 -114.49 146.72 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.624 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.7 pm0 -91.55 146.73 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.447 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.11 119.57 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.727 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.491 ' NE2' HD12 ' A' ' 116' ' ' LEU . 28.4 m-70 -103.02 123.03 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.373 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' A' ' 50' ' ' TYR . 49.4 t -103.74 127.05 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.7 tp -142.3 91.55 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.375 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -114.83 132.43 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.808 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -109.63 135.68 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.393 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.07 161.09 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.734 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.498 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.0 t30 -84.15 160.52 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.585 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.72 -45.68 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.585 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 59.5 t0 -73.11 67.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 24.3 m -154.28 107.25 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.05 78.55 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.504 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.43 162.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.22 -170.77 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -111.62 139.82 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.529 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' GLY . 94.3 mt -100.04 -97.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.601 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.99 -140.42 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -2.31 26.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.533 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -47.41 120.47 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -82.5 121.47 26.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 44.1 tp -113.84 129.66 56.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -151.97 148.07 27.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -104.51 150.14 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -103.5 169.18 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -65.05 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.721 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.85 -24.52 52.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.721 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 100.11 51.6 1.24 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.7 mt-10 -139.31 151.23 46.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.57 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -104.65 141.9 35.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.8 t -126.83 135.4 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.596 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 106.35 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.1 p -117.29 143.02 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -162.32 141.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.491 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.96 134.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -114.34 129.73 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -93.34 151.94 40.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.33 152.49 66.56 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.732 2.288 . . . . 0.0 112.077 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.9 m 65.05 8.68 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.541 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -136.89 143.42 42.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.38 136.94 54.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -130.96 159.07 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.9 mmm -83.62 150.99 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -106.41 -101.14 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.743 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -129.53 161.95 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.8 tt0 -137.22 157.07 47.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.69 -163.61 15.07 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -88.77 140.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.707 0.289 . . . . 0.0 110.523 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.22 135.65 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 6.3 p-10 -147.29 118.35 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.354 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 53.62 102.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -148.89 159.09 44.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.787 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -106.8 129.5 54.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.377 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.8 m -117.39 133.33 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -137.93 123.15 19.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.231 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.1 mtm -129.36 163.85 24.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.953 0.406 . . . . 0.0 110.983 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 32.3 t0 -156.07 170.43 22.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 93.25 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.771 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.491 HD12 ' NE2' ' A' ' 60' ' ' HIS . 5.5 mt -90.1 151.36 44.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.4 Cg_endo -74.73 131.22 14.37 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.774 2.316 . . . . 0.0 112.154 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.468 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 14.9 mt -52.33 105.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.8 m -81.71 -177.8 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -54.73 -28.85 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.469 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -38.6 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.465 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.423 ' CG ' HD22 ' A' ' 118' ' ' LEU . 31.9 t80 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.366 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.83 0.348 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.561 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -58.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.658 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.561 ' N ' HG22 ' A' ' 15' ' ' VAL . 68.7 m-80 -64.05 -28.39 69.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 -178.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.1 170.65 30.34 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -91.72 149.74 39.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.04 136.41 24.74 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.843 2.362 . . . . 0.0 112.166 179.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -74.22 -11.83 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.522 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' HD13 ' A' ' 40' ' ' ILE . 65.5 t80 -124.58 129.23 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.57 125.82 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.53 -107.38 3.21 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -143.81 -56.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -90.25 120.91 31.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.576 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -122.55 140.29 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -136.17 172.58 12.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -127.41 96.92 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -37.35 -69.1 0.32 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.34 129.74 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.615 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.64 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 10.7 pm0 -81.54 -5.56 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.622 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -89.93 154.44 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' CB ' HD21 ' A' ' 36' ' ' LEU . 64.0 m-20 59.02 -158.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.524 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 36' ' ' LEU . 21.2 m120 -81.28 41.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 75.05 -32.15 1.09 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.597 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 34' ' ' ASN . 24.5 mt 61.99 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' GLY . 50.1 tp -99.25 128.92 45.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.646 -179.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -112.67 136.87 51.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -99.31 101.31 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.444 HD13 ' O ' ' A' ' 21' ' ' PHE . 13.1 mt -92.33 130.45 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.526 -179.497 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.2 t -131.5 127.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -107.53 105.62 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.483 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.16 -27.8 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.635 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' HZ1' ' HG2' ' A' ' 45' ' ' LYS . 25.5 ttpp -51.74 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.689 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' ' HZ1' ' A' ' 44' ' ' LYS . 64.5 mmtt -106.35 0.2 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.62 179.271 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.5 mmtm 56.16 32.34 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.4 pt20 -96.21 127.23 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.431 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 33.6 m0 -86.19 142.63 28.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB2' ' CE ' ' A' ' 100' ' ' MET . . . -140.31 147.64 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.433 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.99 135.86 53.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -118.09 121.3 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.2 t-20 -91.32 134.12 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.667 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 54' ' ' THR . 24.2 p-10 -108.53 -38.02 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.429 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.533 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 9.1 p -58.53 118.82 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.5 p -88.03 -9.98 51.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.658 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.6 tt0 -94.41 -45.17 7.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -113.56 151.15 32.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.672 -179.57 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.22 150.47 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 178.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.95 119.8 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.43 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.408 ' ND1' HG22 ' A' ' 92' ' ' VAL . 44.5 m-70 -103.74 128.52 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.37 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.9 t -108.02 130.03 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 tp -142.2 92.64 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.2 t -115.85 132.84 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.4 m -110.59 135.38 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.336 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -118.59 156.28 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.875 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.1 t30 -79.86 159.23 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -48.91 -41.15 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.566 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.8 t70 -79.79 70.4 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 26.8 m -154.21 113.4 3.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.78 78.2 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.424 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -120.4 156.39 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -137.88 160.49 39.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.597 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -89.83 138.81 31.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.507 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.1 mt -103.94 -98.59 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.212 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.09 -148.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -69.21 -2.89 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 0.0 110.472 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -46.36 117.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 -179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.11 123.65 27.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 88' ' ' VAL . 43.8 tp -117.54 129.89 56.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.402 ' HG3' HE22 ' A' ' 82' ' ' GLN . 10.1 pt-20 -152.71 154.21 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.573 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -107.88 150.71 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.402 HE22 ' HG3' ' A' ' 80' ' ' GLU . 17.3 mm-40 -103.98 168.93 8.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -37.06 86.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.679 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.49 -24.83 61.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.638 -179.736 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.679 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 100.11 54.43 1.03 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.3 mt-10 -141.02 152.55 44.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 110.634 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -105.71 139.64 39.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.5 t -124.76 137.52 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.31 105.63 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -117.86 144.09 45.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -178.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.35 143.29 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.479 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' ND1' ' A' ' 60' ' ' HIS . 47.7 t -99.53 137.25 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.22 130.93 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -90.63 160.36 39.01 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.513 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.52 158.3 57.76 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.779 2.319 . . . . 0.0 112.117 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.3 t 55.87 13.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -135.97 151.14 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 m -129.24 135.04 48.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -129.06 163.29 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -86.52 155.24 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.926 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -114.48 -96.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.057 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.725 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -135.79 159.35 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -133.78 157.95 44.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 122.68 -161.44 16.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -94.77 139.34 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.44 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.431 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 2.6 t -122.62 135.3 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 5.4 p-10 -144.74 118.96 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.347 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.61 100.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.412 ' CD1' HG12 ' A' ' 106' ' ' VAL . 29.5 p90 -146.15 159.58 43.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.178 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -106.03 128.03 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.338 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -112.46 135.11 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -141.56 124.94 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.172 178.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -134.35 169.25 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.954 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.5 t0 -165.39 172.94 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.344 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.13 89.49 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.11 151.25 42.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.491 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.09 161.72 0.96 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.836 2.357 . . . . 0.0 112.155 178.043 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.98 108.33 16.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.2 m -67.17 170.0 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -54.45 -29.11 48.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -54.85 -38.69 67.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.497 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.705 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.08 -51.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.221 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.6 m-20 -81.8 2.83 28.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -178.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.15 162.96 11.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -91.92 139.21 24.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.476 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.85 142.75 4.89 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.818 2.345 . . . . 0.0 112.191 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -73.24 -30.0 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 179.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 89.4 t80 -94.15 141.27 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -109.62 160.55 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.86 -133.97 1.59 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -136.68 -71.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.609 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -82.35 128.03 33.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.37 134.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -138.98 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.08 139.86 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -71.86 1.1 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -83.29 124.11 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.643 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.36 -26.7 63.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -59.67 154.54 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 35.2 t0 62.83 -145.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.533 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 11.0 t-20 -93.83 6.23 49.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.14 -20.53 10.53 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 28.2 mt 58.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.8 tp -106.37 129.19 54.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -107.38 123.74 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.531 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.0 ttp180 -80.54 122.78 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -109.52 130.85 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.516 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.32 129.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -105.13 100.93 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.544 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.67 -25.84 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.701 -179.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HZ2' ' HZ2' ' A' ' 45' ' ' LYS . 22.3 ttpp -56.51 -66.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.623 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HZ2' ' HZ2' ' A' ' 44' ' ' LYS . 34.6 mmtm -102.14 -1.6 31.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.596 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 42' ' ' ASN . 6.9 mmmt 55.53 38.44 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.705 -179.601 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.3 pt20 -97.3 124.81 41.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.455 179.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.426 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 40.1 m0 -81.08 142.7 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.11 34.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.41 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.479 ' CD2' HG21 ' A' ' 61' ' ' VAL . 70.2 m-85 -124.44 134.07 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -179.621 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . 51.8 t80 -120.12 125.78 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 179.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.0 t-20 -91.07 130.04 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.265 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.555 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 26.6 p-10 -101.53 -37.97 8.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.542 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.9 p -58.21 118.3 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.475 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 71.9 p -90.68 11.49 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -125.42 -14.61 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.655 -179.871 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.3 m-85 -136.78 142.35 42.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.649 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 12.6 pm0 -91.95 149.31 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.617 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -97.68 121.84 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.714 -179.573 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' NE2' HD12 ' A' ' 116' ' ' LEU . 23.1 m-70 -103.05 126.15 50.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 50' ' ' TYR . 54.2 t -106.36 128.14 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -142.55 91.69 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.314 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.9 t -114.58 131.58 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -110.01 133.57 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.91 163.9 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t30 -81.86 154.83 25.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -47.18 -49.34 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.6 73.39 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.8 m -154.33 115.92 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ARG . 16.3 t70 -78.18 80.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.465 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.1 pt -122.81 156.26 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.556 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.3 mtpt -128.95 166.92 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -104.79 135.93 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 mt -113.23 173.45 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.93 -139.17 2.17 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.01 4.26 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -50.77 122.52 7.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -81.98 129.25 34.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 45.0 tp -124.3 128.57 49.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -147.92 157.7 43.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -98.52 151.0 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.424 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 73.3 mm-40 -96.96 175.03 6.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -74.59 -36.16 63.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.649 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -77.76 0.73 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.314 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.649 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 83.63 68.36 1.42 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.2 mt-10 -144.74 156.21 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.607 178.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -111.15 136.93 49.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.506 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.6 t -127.64 137.19 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.64 109.53 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.511 179.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.1 p -119.47 141.83 48.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.65 139.21 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.512 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.426 HG22 ' ND1' ' A' ' 60' ' ' HIS . 84.8 t -95.34 135.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.72 135.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.437 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -99.22 152.62 37.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.57 145.0 99.58 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 0.0 111.982 -178.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 6.9 m 62.07 23.24 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -144.04 125.35 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -106.31 126.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -119.63 160.21 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.0 mmm -83.98 153.77 23.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.66 -103.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.538 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.717 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.66 156.1 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 6.0 tm-20 -135.53 158.15 45.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.09 -158.84 14.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASP . 72.6 ttt-85 -92.99 140.65 29.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.5 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.493 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.2 t -124.77 136.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -149.18 116.49 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.55 100.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.493 ' CD1' HG12 ' A' ' 106' ' ' VAL . 24.2 p90 -153.06 158.44 41.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.761 -179.448 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -108.98 134.08 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -116.15 134.23 55.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -178.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -137.0 124.64 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.206 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.9 mtm -131.53 169.31 16.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.989 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.4 t0 -164.9 170.65 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.304 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.74 91.49 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.756 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' NE2' ' A' ' 60' ' ' HIS . 22.1 mt -87.31 166.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.512 -179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 3.0 Cg_exo -83.6 134.18 6.41 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.783 2.322 . . . . 0.0 112.049 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.431 HD22 ' CG ' ' A' ' 122' ' ' TYR . 15.6 mt -55.4 121.19 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.411 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -94.48 -162.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -64.87 -30.86 71.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.92 -53.4 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.431 ' CG ' HD22 ' A' ' 118' ' ' LEU . 43.1 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 179.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.751 0.31 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.1 -57.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.596 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.7 m-20 -66.35 -27.75 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.657 -179.007 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.23 170.71 29.53 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -91.47 149.54 39.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.545 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -70.98 133.66 23.79 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.82 2.346 . . . . 0.0 112.226 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p -71.25 -16.43 62.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.6 145.6 45.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.783 HG22 ' H ' ' A' ' 23' ' ' GLY . 7.5 p -137.6 176.17 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.783 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -160.8 -109.46 0.25 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -149.4 -61.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -88.84 110.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.2 t -109.94 138.21 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -138.54 166.16 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -121.47 107.87 12.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.25 -70.01 0.52 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -87.13 121.63 29.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.622 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.52 -27.04 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.593 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -68.85 161.95 27.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.516 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.524 ' CB ' HD21 ' A' ' 36' ' ' LEU . 69.4 m-20 58.47 -161.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.445 HD22 ' CG1' ' A' ' 15' ' ' VAL . 43.2 p-10 -79.56 18.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.69 -26.52 24.16 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 33' ' ' ASP . 22.4 mt 62.54 -68.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.0 tp -122.31 133.42 54.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.18 130.71 54.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.3 ttp180 -88.86 109.48 20.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.612 179.485 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -97.84 134.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.522 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 48' ' ' TRP . 43.5 t -137.23 123.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.0 t-20 -104.88 103.79 13.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -56.37 -31.67 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.683 -179.47 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -52.83 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -95.13 -2.4 50.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 54.79 33.81 20.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.706 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -101.02 127.59 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 34.0 m0 -87.23 143.94 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.74 154.01 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' HD21 ' A' ' 37' ' ' LEU . 50.6 m-85 -129.38 141.39 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.731 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.571 ' O ' HD12 ' A' ' 37' ' ' LEU . 48.0 t80 -124.47 125.31 44.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -99.3 127.51 45.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.561 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 2.4 p30 -102.8 -33.31 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.537 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 8.9 p -57.22 118.2 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.501 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 69.7 p -97.06 18.19 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.602 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.93 -16.1 4.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.669 179.798 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.5 149.99 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.46 145.28 24.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 178.808 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.05 124.55 37.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.076 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -112.67 123.24 49.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.395 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.9 t -107.1 131.97 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.74 92.71 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -113.73 134.11 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -109.28 134.59 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.34 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.6 m-85 -117.54 163.29 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.777 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.4 t30 -84.81 153.1 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -47.51 -44.97 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.4 m-20 -78.13 71.24 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.55 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 34.8 m -153.86 116.08 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' ARG . 47.8 t0 -76.81 80.42 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 pt -123.26 158.33 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.557 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -142.75 161.27 38.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -91.56 141.66 28.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.537 HD21 ' CD ' ' A' ' 103' ' ' GLU . 96.2 mt -102.52 -98.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.399 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.73 -146.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -1.84 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.539 -179.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.7 m -45.96 114.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -77.14 118.41 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 59.7 tp -113.68 127.85 56.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -151.67 148.63 28.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.51 147.28 26.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -98.82 171.7 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 84' ' ' ASN . 3.1 pp20? -68.78 -32.98 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.714 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.87 -25.2 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.714 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 102.24 51.82 1.04 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.1 mt-10 -141.19 153.0 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.655 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -104.94 142.25 35.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.427 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.6 t -126.73 134.36 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.32 105.39 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.11 141.78 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.38 143.93 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 179.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -104.67 132.14 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.5 128.92 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -89.16 158.7 46.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.535 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 26.0 Cg_exo -62.02 167.85 9.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.813 2.342 . . . . 0.0 112.031 -179.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 14.3 p 41.56 21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 95' ' ' PRO . 67.4 mm-40 -138.74 150.17 45.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -129.27 137.69 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.47 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -133.53 159.6 39.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.8 mmm -83.95 151.23 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.585 179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CG ' HG23 ' A' ' 102' ' ' ILE . 17.1 t80 -110.36 -101.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.744 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.8 pp -130.62 160.98 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.137 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.537 ' CD ' HD21 ' A' ' 74' ' ' LEU . 22.7 pt-20 -132.36 -178.33 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.41 -161.29 20.57 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 36.6 ttm180 -95.76 142.4 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.45 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 2.9 t -124.83 135.44 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -147.15 118.67 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 56.37 102.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -153.73 155.35 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.776 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -106.12 131.62 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.0 m -113.14 136.54 52.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -142.89 122.59 13.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.31 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -130.28 172.95 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 110.957 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.2 t0 -160.82 172.81 16.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.288 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.93 87.9 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.716 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 mt -88.72 151.65 47.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.09 139.17 35.1 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.809 2.339 . . . . 0.0 112.116 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD13 ' CE2' ' A' ' 122' ' ' TYR . 63.6 mt -46.41 104.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.2 m -73.99 -175.71 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.564 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -59.56 -31.55 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -57.25 -37.76 72.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.464 ' CE2' HD13 ' A' ' 118' ' ' LEU . 54.7 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.807 0.337 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.622 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.9 -62.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.179 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.622 ' N ' HG22 ' A' ' 15' ' ' VAL . 76.3 m-20 -60.9 -29.21 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.654 -179.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 169.05 165.17 25.99 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.419 ' N ' ' NE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -94.19 154.41 40.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.512 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.83 132.21 12.86 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.863 2.375 . . . . 0.0 112.215 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m -65.6 -30.61 71.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.54 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.472 ' O ' HD13 ' A' ' 40' ' ' ILE . 68.6 t80 -109.27 136.41 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.78 125.19 40.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.624 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.14 -111.93 3.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 1.1 pp20? -143.82 -38.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.635 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -102.27 126.7 49.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -133.91 131.01 56.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.7 t -148.37 144.25 27.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 179.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 17.3 pttp -87.89 132.73 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -68.08 1.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -88.77 127.41 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 0.0 110.689 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.03 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -64.8 143.34 58.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.44 ' CB ' HD21 ' A' ' 36' ' ' LEU . 3.0 m-20 70.22 179.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 35' ' ' GLY . 16.0 p30 -51.65 -32.36 29.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 153.89 -18.34 0.65 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 17.7 mt 62.76 -66.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.583 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.2 tp -130.37 133.87 46.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.03 135.41 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.496 179.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -88.86 103.93 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 21' ' ' PHE . 14.5 mt -94.72 120.64 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 48' ' ' TRP . 48.7 t -128.59 130.57 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.168 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -111.09 101.61 10.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -53.99 -33.24 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.724 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -49.93 -68.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.672 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -92.1 -3.55 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.2 mmtp 55.46 32.42 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -100.67 127.53 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CD1' HG13 ' A' ' 41' ' ' VAL . 28.4 m0 -86.46 147.62 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.39 149.46 33.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CD1' HD21 ' A' ' 37' ' ' LEU . 59.6 m-85 -124.05 142.49 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.664 ' O ' HD12 ' A' ' 37' ' ' LEU . 59.4 t80 -125.09 123.43 39.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -95.22 132.95 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 54' ' ' THR . 3.9 p30 -110.9 -29.02 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.397 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.559 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -62.55 119.2 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.54 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.702 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 68.2 p -95.33 14.36 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.702 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -128.69 -13.89 4.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.8 m-85 -135.97 147.35 48.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.714 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.3 pt-20 -92.73 146.11 23.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -94.15 119.82 33.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.299 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.453 ' CD2' HD12 ' A' ' 116' ' ' LEU . 52.3 m-70 -110.01 119.68 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.295 178.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -102.98 133.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.752 -178.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp -141.91 91.64 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -112.41 131.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.4 m -109.3 133.45 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.349 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -117.02 156.92 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -179.809 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.7 t30 -79.01 156.18 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.548 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.04 -44.2 30.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -77.02 70.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 35.5 m -153.89 114.05 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -79.28 77.86 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 pt -119.44 155.84 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.636 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -135.56 164.23 28.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.63 -179.547 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -95.76 139.03 32.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.502 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.6 mt -102.66 -102.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -58.12 -151.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.382 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -59.18 -4.21 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.524 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 75' ' ' GLY . 63.4 m -45.09 109.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.59 -179.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -77.85 119.95 22.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 55.0 tp -113.63 131.08 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.648 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HG3' HE22 ' A' ' 82' ' ' GLN . 21.5 pt-20 -152.95 150.88 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.459 ' C ' ' NE2' ' A' ' 82' ' ' GLN . 63.2 tt0 -108.21 152.59 24.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.684 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.459 ' NE2' ' C ' ' A' ' 81' ' ' GLN . 17.9 mm-40 -107.83 169.29 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.09 -37.39 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.718 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.37 -24.91 61.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.871 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.718 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 98.59 53.66 1.2 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.1 mt-10 -138.94 146.33 40.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.599 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.38 140.01 36.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 79' ' ' LEU . 90.5 t -126.42 133.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.92 103.15 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -114.66 146.03 41.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 p -162.07 152.27 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.521 179.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.3 t -111.66 136.45 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.638 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.2 t -117.28 131.69 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -91.27 157.73 42.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.35 154.93 68.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.797 2.331 . . . . 0.0 112.023 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 18.0 t 56.45 25.85 10.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.472 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -147.01 156.36 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.536 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.8 m -132.25 135.14 46.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -129.76 154.74 46.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.656 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.8 mtp -80.95 153.56 27.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -112.17 -101.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.731 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -128.13 161.35 36.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -137.07 157.42 46.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.621 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.84 -161.37 14.32 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -91.82 136.69 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.534 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.1 t -110.55 128.89 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.6 t30 -135.93 120.39 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.18 99.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.534 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.7 p90 -145.8 152.41 39.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.794 -179.347 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 15.3 mtpp -108.73 133.36 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.339 179.175 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -111.29 134.76 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -178.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -139.92 113.89 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.288 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.419 ' SD ' HD23 ' A' ' 37' ' ' LEU . 79.3 mtm -119.97 168.58 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.024 -178.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -162.48 171.65 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.386 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.12 88.63 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 60' ' ' HIS . 22.4 mt -86.27 165.15 35.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 4.7 Cg_exo -79.19 151.18 23.29 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.794 2.329 . . . . 0.0 112.137 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.42 119.49 20.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.1 m -88.98 -175.48 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.594 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 120' ' ' GLU . 1.8 pp20? -58.59 -29.41 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.85 -41.46 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 179.661 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . 156.34 -52.31 0.43 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m 65.66 -56.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.627 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' GLY . . . 88.38 8.44 71.13 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.39 154.32 36.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -84.15 145.23 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.0 p -144.66 161.16 39.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 42.89 75.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 10' ' ' SER . 21.0 p30 -55.01 -38.84 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.548 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.508 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 31.2 t -175.3 102.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 m 41.44 -131.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.6 t -140.09 136.17 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.583 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -127.02 131.7 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -101.45 172.87 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.35 -58.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.65 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' VAL . 81.7 m-20 -64.57 -26.19 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.13 160.44 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -90.09 149.38 41.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.549 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.05 137.37 37.37 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.77 2.313 . . . . 0.0 112.236 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 p -78.7 0.89 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -131.89 139.16 48.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.34 126.67 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.72 -109.93 3.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -141.01 -58.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -93.82 127.42 39.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -122.18 134.4 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.02 158.55 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 20.8 pttp -104.41 132.35 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.548 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.33 -65.6 2.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -79.45 132.45 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -88.72 49.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.587 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -149.64 143.62 25.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 68.95 -170.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.442 HD22 HG11 ' A' ' 15' ' ' VAL . 82.5 m-20 -50.88 -31.57 17.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 148.98 -19.47 1.23 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 61.11 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.604 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.9 tp -119.25 128.99 54.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.622 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.19 124.26 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -80.38 117.41 21.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.632 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.01 128.89 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 48' ' ' TRP . 44.0 t -132.96 129.13 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.532 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.7 t-20 -107.14 102.5 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.537 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.75 -31.42 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -56.0 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 63.0 mttp -87.6 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 42' ' ' ASN . 2.4 mmtp 55.81 31.74 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -102.45 128.29 49.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.479 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.432 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 33.5 m0 -83.63 153.35 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.08 143.89 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.437 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.37 138.51 54.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' O ' HD12 ' A' ' 37' ' ' LEU . 27.6 t80 -122.29 124.21 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.482 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.59 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.5 t-20 -88.81 124.85 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.535 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 27.9 t70 -96.72 -47.54 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.496 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.449 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 11.3 p -56.96 135.9 56.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.505 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.682 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -104.53 12.57 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.682 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -127.59 -12.22 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -129.15 138.23 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.57 138.9 31.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.605 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.44 123.04 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -178.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -109.67 122.96 48.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.293 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.1 129.92 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 tp -142.05 92.74 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.9 t -113.35 131.01 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -107.99 134.13 51.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.357 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -116.88 159.36 22.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.8 t30 -79.99 157.62 26.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -47.65 -51.08 22.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.519 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 58.2 t0 -75.3 75.26 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.5 m -154.47 113.71 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 50.3 t0 -78.57 80.03 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 pt -121.28 158.96 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 103' ' ' GLU . 29.7 ttpt -132.0 165.74 23.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.626 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -103.92 136.62 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.1 mt -112.08 174.36 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.37 -138.56 1.42 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 3.67 54.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.1 m -48.31 124.76 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -83.61 126.53 32.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 41.6 tp -122.54 127.87 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.551 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.417 ' HG3' HE22 ' A' ' 82' ' ' GLN . 19.5 pt-20 -149.71 153.97 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -107.7 150.12 27.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.417 HE22 ' HG3' ' A' ' 80' ' ' GLU . 22.1 mm-40 -100.64 170.18 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.68 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -63.06 -24.59 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.68 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.23 57.25 0.85 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.483 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.2 mt-10 -143.6 149.68 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.37 . . . . 0.0 110.548 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -103.77 140.66 37.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.483 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.486 ' O ' HD12 ' A' ' 79' ' ' LEU . 89.5 t -127.92 135.82 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.67 113.44 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -121.7 144.84 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 p -162.93 139.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -102.35 135.57 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.35 130.11 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.466 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -93.3 152.05 40.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.1 159.32 12.66 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.4 m 53.58 28.32 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 125' ' ' HIS . 65.9 tt0 -153.16 155.96 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.1 m -134.63 135.26 42.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -129.46 155.91 44.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.1 mtp -83.05 155.58 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.6 t80 -116.0 -103.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.04 163.19 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.9 tt0 -141.76 154.6 45.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.58 -159.29 14.42 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.6 ttt180 -94.39 138.21 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.537 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -109.57 130.66 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.4 t30 -135.2 120.94 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.79 97.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD1' HG12 ' A' ' 106' ' ' VAL . 21.6 p90 -145.68 157.84 43.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.788 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -116.98 135.55 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.312 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m -113.86 133.49 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.977 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -136.42 121.25 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.233 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.6 mtm -127.17 165.26 19.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.997 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 45.0 t0 -156.31 174.96 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.354 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.97 88.0 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.813 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.09 151.84 45.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' SER . 57.4 Cg_endo -72.92 135.64 23.67 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.144 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 122' ' ' TYR . 54.3 mt -41.48 98.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' PRO . 29.6 m -66.92 177.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.06 -29.52 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.434 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.55 -35.19 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.469 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 118' ' ' LEU . 58.0 t80 -59.95 -42.35 93.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.445 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -59.8 -41.42 91.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.494 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -67.84 -37.08 81.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.571 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.402 ' CE1' ' OE1' ' A' ' 97' ' ' GLU . 45.5 t60 -57.31 -33.94 68.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.98 -36.63 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 130' ' ' ASP . . . -66.5 -36.54 82.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.89 -34.47 78.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.555 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -61.33 -36.73 80.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 127' ' ' ALA . 58.0 p30 -163.04 160.2 24.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.584 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 51.4 tttp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.573 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' N ' ' A' ' 1' ' ' MET . 3.0 mpp? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.53 -128.72 30.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.3 m -151.43 153.86 35.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.6 48.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.21 72.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -104.83 147.06 28.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 82.8 p -72.17 -18.83 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.528 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 43.38 -111.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 7' ' ' SER . 77.4 m-20 56.87 44.14 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.585 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 t -86.49 128.16 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.9 t 172.93 13.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' H ' ' H ' ' A' ' 11' ' ' SER . 3.3 t -146.04 135.78 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.518 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 m -128.65 138.12 52.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.63 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -117.09 163.17 16.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.63 -52.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.253 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.8 m-20 -81.84 4.62 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.656 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.66 155.94 9.15 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.637 ' H ' ' NE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -85.95 149.39 50.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.82 148.97 20.91 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.866 2.377 . . . . 0.0 112.189 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.3 m -79.04 -19.57 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -113.06 140.63 47.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.76 129.78 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.99 -118.51 3.11 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -136.98 -62.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.594 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -92.1 129.19 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.69 132.89 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.95 133.5 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.474 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -93.65 132.82 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.31 -69.6 1.29 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -88.16 132.0 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.619 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.85 4.18 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -91.77 154.18 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 37.8 t0 61.69 -141.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.523 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 24.6 p-10 -92.33 13.22 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.87 -19.45 44.05 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.5 mt 59.89 -76.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.623 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.6 tp -112.93 131.51 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -108.49 125.3 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -81.76 112.07 18.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.64 130.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 48' ' ' TRP . 41.7 t -132.23 127.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.8 t-20 -105.96 103.75 13.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.0 -30.67 64.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HZ2' ' HG3' ' A' ' 45' ' ' LYS . 24.9 ttpp -58.25 -57.93 10.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.627 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 89.3 mttt -99.16 -4.07 33.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 54.01 28.19 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.763 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.97 127.78 44.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.457 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.2 m0 -85.88 147.33 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.92 147.05 32.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.495 ' CD1' HD21 ' A' ' 37' ' ' LEU . 57.8 m-85 -123.73 138.83 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.826 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.632 ' O ' HD12 ' A' ' 37' ' ' LEU . 60.9 t80 -125.44 127.07 45.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.525 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 39.0 t-20 -96.2 131.34 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.542 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 39.9 p-10 -102.18 -35.48 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.521 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.7 122.44 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.517 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 47.3 p -97.04 15.5 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.19 -15.58 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -135.75 145.82 47.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -93.32 145.86 24.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.517 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.553 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.59 122.35 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.641 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.41 ' CE1' HD12 ' A' ' 116' ' ' LEU . 48.1 m-70 -108.53 117.53 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.437 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.38 134.46 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 tp -142.87 91.31 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.365 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.29 135.05 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -113.09 135.0 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.397 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -118.69 164.24 15.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 36.2 t30 -82.95 154.69 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.56 -44.74 36.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.578 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.5 m-20 -79.55 72.78 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.533 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 33.8 m -153.58 116.83 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 105' ' ' ARG . 43.5 t0 -77.65 80.11 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -122.15 155.52 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 34.7 tttp -136.01 162.03 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -95.45 145.61 25.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' GLY . 63.6 mt -112.91 -103.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.53 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.9 -158.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -53.33 -6.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.507 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 75' ' ' GLY . 90.5 m -44.9 111.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -80.65 121.29 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 57.3 tp -113.65 131.75 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -153.58 153.76 32.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.25 151.94 25.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -106.61 168.43 9.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.49 -37.18 86.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.7 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.72 -25.2 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.7 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 98.85 56.42 1.02 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.3 mt-10 -140.92 146.79 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.354 . . . . 0.0 110.613 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -101.14 137.74 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 79' ' ' LEU . 81.9 t -126.12 135.41 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.0 103.54 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.1 p -113.8 144.83 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.61 147.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.22 134.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.714 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.51 133.02 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -90.0 154.3 47.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.75 148.06 84.96 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.794 2.33 . . . . 0.0 112.092 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 m 59.63 30.78 20.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.588 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 89.9 mt-10 -149.19 135.35 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.579 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -117.2 123.98 47.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -119.35 163.43 17.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -81.21 153.7 27.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -115.77 -94.24 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.703 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -134.07 155.51 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.7 tt0 -132.04 155.15 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.66 -159.71 18.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASP . 58.5 ttm-85 -94.69 141.71 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.479 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.97 135.92 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 7.9 p30 -140.53 121.79 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.81 98.35 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -139.77 156.31 46.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.709 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -106.94 129.28 54.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.2 m -111.85 134.42 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -138.28 121.69 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 113' ' ' MET . 2.8 mpp? -133.17 171.29 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 111.04 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.4 t0 -160.35 172.55 17.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.31 87.42 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.76 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 60' ' ' HIS . 12.6 mt -87.37 150.18 48.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.72 149.43 60.73 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.817 2.345 . . . . 0.0 112.119 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.65 128.65 36.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.7 m -95.33 -170.61 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.57 -31.01 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.471 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.26 -39.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -66.83 -40.93 88.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -55.99 -42.21 76.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.438 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -69.72 -38.97 77.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.588 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 38.4 t60 -56.05 -28.57 58.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -94.87 -35.51 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 130' ' ' ASP . . . -65.53 -35.51 81.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.485 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -65.73 -30.21 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.585 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -56.78 -37.18 70.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 127' ' ' ALA . 85.0 m-20 55.26 45.5 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.526 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.0 mtm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.98 -176.29 51.46 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -148.51 162.14 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.27 111.79 3.14 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.5 149.48 47.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -79.03 -0.96 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.2 p -61.54 -15.74 41.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.87 -32.05 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -137.04 156.11 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.2 p -172.87 8.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t -59.64 -161.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 t -139.54 135.51 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.553 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -126.85 131.54 51.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -105.71 168.18 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -60.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 -179.182 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.571 ' N ' HG22 ' A' ' 15' ' ' VAL . 78.6 m-20 -63.67 -28.47 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.682 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.22 161.4 18.01 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -92.77 149.14 37.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.476 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.65 139.03 27.52 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.838 2.359 . . . . 0.0 112.226 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -85.48 9.04 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -136.32 127.95 28.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.06 128.56 68.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.25 -114.79 3.49 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -136.52 -59.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 0.0 110.63 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -89.72 116.92 28.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.56 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -119.33 131.85 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -139.96 171.18 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.2 mttm -114.93 97.08 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -33.57 -77.45 0.04 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -66.59 137.35 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.664 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 2.6 pm0 -94.96 31.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -132.15 159.11 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 58.25 -149.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -84.14 20.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 95.46 -23.84 31.92 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 23.9 mt 60.09 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.2 tp -105.95 134.03 49.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -108.79 128.25 54.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -85.74 110.63 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -103.74 130.86 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 48' ' ' TRP . 43.9 t -132.56 126.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.568 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.654 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.1 t-20 -102.85 104.3 14.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.07 -32.37 70.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.693 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -59.34 -52.39 65.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -100.81 -6.09 25.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 55.73 22.42 5.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.686 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -97.29 127.91 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.442 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.2 m0 -83.53 153.81 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.96 145.19 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -124.42 137.13 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' O ' HD12 ' A' ' 37' ' ' LEU . 53.3 t80 -121.39 122.77 40.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 130.93 38.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.548 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 25.7 p-10 -106.8 -35.4 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.539 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.5 p -58.21 120.31 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 63.1 p -95.52 13.35 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -126.02 -15.83 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.661 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -136.16 145.41 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.23 145.14 24.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 121.93 34.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 116' ' ' LEU . 48.3 m-70 -108.16 121.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -101.8 131.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.825 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 tp -142.05 92.37 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.305 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.95 131.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -110.08 135.23 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.383 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -118.22 158.06 25.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.734 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.532 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 40.4 t30 -76.76 157.2 31.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -47.27 -45.97 24.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.582 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.3 t70 -80.82 77.2 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.5 m -154.78 112.45 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.4 t0 -76.27 80.71 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.464 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 65' ' ' PHE . 23.5 pt -123.84 159.35 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.59 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.8 mtpt -132.03 171.19 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.612 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -109.38 136.37 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.54 173.3 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.589 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.88 -137.88 1.35 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -87.14 -2.8 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.5 m -44.54 117.13 1.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -81.85 126.94 32.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 43.8 tp -121.45 127.25 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.608 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HG3' HE22 ' A' ' 82' ' ' GLN . 20.6 pt-20 -147.84 154.03 39.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -106.86 151.84 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.407 HE22 ' HG3' ' A' ' 80' ' ' GLU . 32.7 mm-40 -103.18 165.92 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.99 -35.83 81.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.506 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.717 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -63.54 -25.12 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.717 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.67 61.8 0.76 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.481 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.6 mt-10 -144.55 146.39 32.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -102.4 136.37 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.508 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.514 ' O ' HD12 ' A' ' 79' ' ' LEU . 88.6 t -126.0 139.7 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.512 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.08 108.07 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.5 p -118.67 143.9 46.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.644 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.88 144.82 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -103.25 135.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.651 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 t -114.93 128.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -90.12 156.56 46.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.453 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.93 155.71 58.7 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.77 2.314 . . . . 0.0 112.074 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 34.3 t 55.43 22.82 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.595 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 48.9 mt-10 -144.64 145.41 31.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.58 138.57 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -133.8 163.43 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.3 mmm -86.93 155.14 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CG ' HG23 ' A' ' 102' ' ' ILE . 19.7 t80 -116.68 -102.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.41 HG23 ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -121.87 161.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 72' ' ' LYS . 85.8 tt0 -139.92 153.44 46.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.92 -159.44 15.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ASP . 69.9 ttt180 -95.94 139.39 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -119.88 132.38 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 3.4 p-10 -139.27 118.65 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.25 97.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 106' ' ' VAL . 19.5 p90 -145.79 157.4 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.806 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -108.54 127.57 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.288 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -111.04 134.88 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -136.87 123.64 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.244 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.1 mtm -130.18 162.42 28.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 110.95 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.4 t0 -156.64 172.17 19.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.6 87.24 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.691 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 60' ' ' HIS . 12.1 mt -85.74 150.51 53.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.65 146.4 48.91 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.827 2.352 . . . . 0.0 112.089 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.411 HD22 ' CG ' ' A' ' 122' ' ' TYR . 16.4 mt -68.16 111.76 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 m -86.93 -168.11 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.9 -30.71 69.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 11.4 pt-20 -55.29 -41.54 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.43 ' N ' ' CG ' ' A' ' 121' ' ' GLU . 42.2 t80 -65.96 -42.29 90.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.464 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -58.11 -42.49 85.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -70.13 -38.09 75.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.53 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.595 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 29.2 t60 -55.36 -45.96 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.504 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -69.69 -34.74 74.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.508 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.55 -55.28 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.484 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 128' ' ' GLU . 1.7 pp20? -66.34 -18.16 65.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -41.26 -53.74 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 62.0 t0 42.19 41.46 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.8 tttm . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.544 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.34 -33.82 58.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.4 -70.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.76 0.314 . . . . 0.0 110.613 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' C ' ' N ' ' A' ' 6' ' ' SER . . . -55.86 -36.31 65.97 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 44.68 19.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.303 . . . . 0.0 110.526 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.459 ' N ' ' C ' ' A' ' 4' ' ' GLY . 23.3 m -57.5 -34.95 69.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.6 m -61.01 151.57 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -58.32 -33.86 69.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.563 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 57.45 45.58 19.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.5 t -86.95 145.02 26.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 t -132.4 18.88 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -143.42 142.34 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -133.5 155.24 49.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.718 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -125.78 164.26 21.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.424 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.93 -56.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.6 m-20 -71.0 -23.55 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.83 162.7 10.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.766 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -92.56 145.65 30.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.514 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.82 152.7 12.93 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.82 2.347 . . . . 0.0 112.189 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.0 m -83.44 -21.82 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 79.7 t80 -96.2 141.39 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.505 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -102.16 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.53 -144.23 3.98 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -131.58 -73.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -75.49 124.25 26.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.604 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.44 129.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -148.44 161.35 41.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -96.69 134.0 40.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.609 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.49 -60.7 4.55 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -78.65 145.22 34.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.618 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -95.13 26.15 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -121.81 154.46 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 31.0 t0 57.08 -155.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.548 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 25.7 m120 -65.03 -33.34 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 159.01 -22.44 0.31 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 19.2 mt 61.35 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.9 tp -106.6 131.86 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.619 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.97 130.97 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.533 ' NH1' ' OH ' ' A' ' 50' ' ' TYR . 36.3 ttm-85 -89.42 115.59 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.3 mt -106.01 128.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.49 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.74 131.17 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t-20 -107.84 102.55 11.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -56.77 -27.76 60.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -54.76 -58.43 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.629 ' NZ ' ' NE2' ' A' ' 47' ' ' GLN . 7.8 mtpm? -107.15 1.19 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.641 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 55.09 30.37 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.745 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.629 ' NE2' ' NZ ' ' A' ' 45' ' ' LYS . 2.3 pt20 -98.21 127.3 44.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.496 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 37.2 m0 -82.45 152.21 26.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.608 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.19 145.18 28.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 52.7 m-85 -120.31 142.43 49.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.721 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -130.19 123.81 31.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.474 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.596 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 5.5 t-20 -89.06 134.71 33.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 54' ' ' THR . 29.7 p-10 -106.51 -36.22 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.561 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -63.5 118.58 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.492 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.654 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 57.6 p -90.19 12.3 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.654 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -124.71 -19.28 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.653 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -134.84 142.36 46.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.651 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.598 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.9 pm0 -91.85 142.53 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.78 116.92 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.661 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.451 ' CE1' HD12 ' A' ' 116' ' ' LEU . 22.8 m-70 -95.11 128.16 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 50' ' ' TYR . 58.1 t -101.74 129.88 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.13 91.44 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.366 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.22 134.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -111.86 136.05 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.366 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.99 165.92 14.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.546 HD22 ' CG ' ' A' ' 68' ' ' ASP . 20.9 t30 -82.19 157.04 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -49.96 -48.68 52.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.561 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 51.4 p30 -79.12 77.81 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.583 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 34.9 m -153.65 116.0 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.5 m-20 -75.92 80.64 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 pt -124.59 157.09 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 103' ' ' GLU . 14.0 ttmt -132.22 162.88 29.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -101.18 136.71 40.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 mt -111.96 172.37 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.05 -137.8 1.92 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' NZ ' HG23 ' A' ' 91' ' ' VAL . 1.3 ptmm? -90.78 -0.15 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.489 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -45.02 121.34 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -81.4 127.66 33.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 88' ' ' VAL . 50.8 tp -125.09 130.8 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -152.62 157.22 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.406 HE21 ' HA2' ' A' ' 85' ' ' GLY . 62.8 tt0 -108.52 151.24 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.525 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -104.7 167.13 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.549 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.93 -36.2 82.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.694 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.75 -25.23 67.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.57 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.694 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.21 59.19 0.89 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.472 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.3 mt-10 -142.96 147.97 36.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -102.3 137.34 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 87.6 t -126.85 134.36 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.12 113.88 11.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.502 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.4 p -124.28 143.86 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.484 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 9.5 p -161.67 139.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.432 HG22 ' ND1' ' A' ' 60' ' ' HIS . 59.2 t -94.25 139.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.678 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 51.0 t -118.63 132.74 67.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.413 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -93.53 152.91 41.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.499 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.68 151.09 78.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.667 2.245 . . . . 0.0 112.091 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.4 t 60.04 31.22 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.521 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -150.27 155.95 40.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -135.22 116.75 14.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.04 165.27 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.8 mmm -86.44 155.59 20.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.625 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -120.14 -103.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -122.02 159.21 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.8 tt0 -137.71 153.1 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.67 -158.95 16.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' ASP . 25.7 ttm105 -95.93 140.36 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.45 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.496 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.8 t -123.87 137.5 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.583 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 7.8 p30 -137.9 122.27 18.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.352 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.74 97.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -138.87 156.13 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.753 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -107.52 129.76 54.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.37 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.4 m -112.63 136.52 52.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -140.37 126.02 19.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.176 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -134.66 163.37 29.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.987 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 39.3 t0 -149.77 171.56 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.299 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 92.51 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 60' ' ' HIS . 7.8 mt -91.98 150.79 41.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.482 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.7 Cg_endo -74.81 135.03 18.92 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.795 2.33 . . . . 0.0 112.128 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.441 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.8 mt -54.78 138.81 41.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.343 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -110.58 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.559 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' HA ' HH11 ' A' ' 123' ' ' ARG . 45.8 tp10 -54.86 -32.23 60.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.544 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.531 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 42.8 t80 -63.84 -44.95 91.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.409 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.405 HH11 ' HA ' ' A' ' 120' ' ' GLU . 73.3 mtt85 -58.25 -40.03 80.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.457 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -68.03 -36.91 80.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.561 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.728 ' CE1' ' HZ3' ' A' ' 129' ' ' LYS . 46.6 t60 -58.42 -25.11 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.46 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.531 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 90.5 mt-30 -72.81 -20.03 61.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.59 -53.67 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.413 ' OE2' ' CE1' ' A' ' 125' ' ' HIS . 14.2 pt-20 -61.38 -30.1 70.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.504 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.728 ' HZ3' ' CE1' ' A' ' 125' ' ' HIS . 50.8 mttp -85.39 -3.59 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.6 t70 54.6 45.35 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 80.6 tttt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.561 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mmt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.26 7.47 69.79 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -152.56 155.45 37.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.77 0.319 . . . . 0.0 110.595 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.93 25.04 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 7' ' ' SER . . . -62.44 -31.14 71.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 44.69 18.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 5' ' ' ALA . 15.9 t 41.31 57.13 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.53 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 7' ' ' SER . 79.0 mm-40 54.68 109.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 10' ' ' SER . 85.4 m-20 -55.67 -34.16 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 9' ' ' ASN . 37.4 m 43.88 95.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.9 p -154.72 -140.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -141.82 133.92 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.573 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -122.28 140.7 52.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.631 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -120.53 173.64 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.476 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.02 -55.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.626 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.1 m-80 -76.49 -23.8 53.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.627 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.16 175.46 29.12 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -91.49 158.3 40.87 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.89 141.47 30.25 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.873 2.382 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.43 ' CB ' ' HG1' ' A' ' 98' ' ' THR . 21.2 p -74.93 -14.52 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -121.34 151.14 40.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.499 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.774 HG22 ' H ' ' A' ' 23' ' ' GLY . 9.0 p -136.56 176.35 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.774 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -161.29 -113.67 0.32 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -143.92 -57.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.616 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -92.99 128.28 38.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.28 134.23 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -147.84 159.6 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.49 121.73 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.86 -70.14 1.05 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -73.01 -131.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.526 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -170.47 51.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -154.09 150.32 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 43.1 t0 61.02 -135.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.506 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.504 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 6.2 p30 -90.36 12.29 18.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.2 -16.82 56.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.9 mt 60.89 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.644 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.3 tp -107.84 134.11 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -110.42 137.65 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.528 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -90.55 102.72 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -89.75 124.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 48' ' ' TRP . 38.2 t -132.4 127.93 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -109.15 103.88 12.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -57.57 -31.4 66.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.668 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -55.43 -55.0 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.8 mmtt -102.99 -4.67 24.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.638 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.3 mmtp 54.29 32.16 15.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.685 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.38 125.69 49.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.486 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CD1' HG13 ' A' ' 41' ' ' VAL . 37.3 m0 -84.14 146.33 27.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.5 148.64 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.365 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.465 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 65.4 m-85 -122.55 146.39 47.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 37' ' ' LEU . 51.4 t80 -131.78 122.47 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.446 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 64.9 t-20 -92.02 137.38 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.537 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 31.3 p-10 -112.26 -36.84 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.71 123.51 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.705 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 46.1 p -96.84 13.67 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.65 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.705 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -126.29 -13.48 6.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.7 m-85 -138.66 145.08 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.2 pt-20 -92.77 146.42 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.454 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.02 117.66 30.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.705 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.419 ' CE1' HD12 ' A' ' 116' ' ' LEU . 43.2 m-70 -105.71 123.6 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.318 179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.76 133.54 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.768 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.11 92.39 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.69 131.69 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.794 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -111.73 131.07 55.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.391 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -115.41 160.13 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.782 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.2 t30 -75.52 155.51 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.61 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -49.06 -45.0 42.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 63.1 t0 -79.54 74.43 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 31.8 m -154.15 114.96 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.594 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ARG . 70.1 m-20 -76.75 80.33 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.74 154.7 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.1 mtpp -127.91 169.95 13.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -106.53 141.23 38.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 75' ' ' GLY . 14.1 mt -120.37 174.08 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' LEU . . . 38.77 -137.56 0.95 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.511 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.4 m -45.49 117.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -85.09 124.36 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.536 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 56.3 tp -119.03 131.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -151.51 154.04 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.561 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.93 150.7 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.74 169.56 8.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.04 -34.99 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER -66.77 -24.54 66.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.45 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.28 63.87 0.77 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.435 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.8 mt-10 -144.44 147.43 33.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -102.91 137.58 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.9 t -130.65 133.22 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.57 107.59 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.3 p -115.31 143.96 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.634 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.73 139.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.442 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.73 135.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.36 135.06 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.47 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -97.81 153.41 38.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.67 152.19 50.4 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.781 2.321 . . . . 0.0 112.135 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.2 t 51.48 42.13 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.497 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -156.32 156.87 34.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.43 ' HG1' ' CB ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -135.25 144.76 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -140.52 162.32 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.608 -179.226 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 86.5 mmm -88.07 142.44 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' HG23 ' A' ' 102' ' ' ILE . 17.0 t80 -104.05 -102.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -124.13 154.78 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 72' ' ' LYS . 84.4 tt0 -131.96 156.42 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.573 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.18 -160.05 14.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.4 ttm-85 -93.55 139.92 30.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.468 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.7 t -121.77 135.67 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.797 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -148.45 116.13 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.325 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.82 99.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CD1' HG12 ' A' ' 106' ' ' VAL . 23.7 p90 -151.12 154.24 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -105.42 132.42 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.309 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 m -117.26 132.94 56.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -136.77 119.41 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.196 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 75.0 mtm -124.44 163.42 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.019 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -157.7 170.99 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.22 88.56 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.72 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.419 HD12 ' CE1' ' A' ' 60' ' ' HIS . 18.5 mt -85.75 164.41 39.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 6.1 Cg_exo -75.8 152.74 37.48 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.778 2.318 . . . . 0.0 112.074 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.64 111.26 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -80.26 -165.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -66.4 -30.49 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -54.95 -38.22 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.592 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 31.9 t80 -65.38 -43.72 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.428 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -56.07 -40.5 73.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.461 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -68.77 -38.38 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.549 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -56.9 -32.51 65.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.557 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.592 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 94.0 mt-30 -60.03 -19.89 55.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.582 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 130' ' ' ASP . . . -87.13 -62.67 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.532 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 129' ' ' LYS . 19.5 pt-20 -50.58 -38.13 43.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 -178.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -79.76 -8.25 59.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 127' ' ' ALA . 22.3 t70 -122.77 114.22 20.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 56.7 tttp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.921 -1.037 . . . . 0.0 110.591 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.7 145.57 47.14 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -57.75 -35.77 71.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.541 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.08 163.31 50.65 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 145.41 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -100.37 153.67 19.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.6 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 9' ' ' ASN . 42.0 p -80.48 -2.09 44.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 55.29 10.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 7' ' ' SER . 86.0 m-20 -122.53 125.21 45.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.623 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -141.05 145.56 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.623 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t -78.89 -151.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.565 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 t -142.96 136.19 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 m -128.11 138.21 52.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.667 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -117.52 170.99 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.395 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.94 -49.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.644 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 70.7 m-80 -88.12 4.24 46.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.705 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.76 173.03 13.42 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.6 153.13 50.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.77 149.77 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.822 2.348 . . . . 0.0 112.209 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.506 ' HG1' ' CB ' ' A' ' 98' ' ' THR . 17.1 p -84.73 2.31 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -132.59 145.28 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.486 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.71 141.62 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.15 -111.97 1.37 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -145.19 -62.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.623 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.92 119.74 31.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -110.95 135.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -137.15 170.91 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -132.94 115.32 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.05 -65.7 3.36 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.66 121.91 32.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -73.65 -23.04 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.551 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -56.94 158.29 5.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.7 t0 55.78 -143.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 81.5 m-20 -90.91 8.97 32.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.35 -20.75 10.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 51.5 mt 56.73 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.665 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 51' ' ' TYR . 15.3 tp -107.83 130.37 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -109.63 126.46 53.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.485 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' THR . 60.5 ttp180 -84.22 123.2 29.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.14 131.41 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.507 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -134.24 128.99 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 t-20 -109.24 103.55 12.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -54.81 -31.95 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.683 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 44.5 mtmt -97.94 -2.34 40.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 58.09 37.63 26.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -100.18 126.16 46.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.491 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 37.5 m0 -85.21 144.92 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.79 146.01 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CD2' HG21 ' A' ' 61' ' ' VAL . 66.6 m-85 -123.88 136.27 54.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 37' ' ' LEU . 56.0 t80 -119.31 126.38 51.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.44 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 52.0 t-20 -95.32 133.85 38.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 54' ' ' THR . 22.5 p-10 -105.08 -40.73 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.532 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.4 p -58.62 116.42 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -86.76 -4.16 59.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.9 tt0 -95.3 -46.58 6.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.97 150.5 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -93.47 150.26 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.519 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.82 122.73 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.48 ' ND1' HG22 ' A' ' 92' ' ' VAL . 39.0 m-70 -106.63 119.15 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.381 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 50' ' ' TYR . 75.8 t -97.71 132.93 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -143.35 92.07 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.348 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.4 t -113.18 134.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.8 m -112.49 134.46 54.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.412 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.03 163.01 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.1 t30 -81.22 160.27 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.565 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -49.8 -52.38 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.45 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 56.3 t0 -74.34 76.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.9 m -154.27 113.2 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' ARG . 42.8 t0 -76.64 79.92 3.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.538 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.73 156.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -138.12 160.79 38.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -91.53 140.5 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.544 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.7 mt -103.02 -101.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.59 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.0 -154.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -59.99 -2.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.545 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 75' ' ' GLY . 60.7 m -46.41 116.64 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -80.08 123.28 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 52.0 tp -118.27 132.48 56.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -155.31 154.64 32.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -108.78 151.38 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -105.07 168.28 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.92 -36.37 83.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.696 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -60.74 -25.18 66.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.696 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.25 57.6 0.95 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.3 mt-10 -142.19 146.09 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.578 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.45 138.78 38.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' HD12 ' A' ' 79' ' ' LEU . 91.1 t -126.78 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.25 106.47 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.6 p -117.31 143.07 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.16 145.76 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.48 HG22 ' ND1' ' A' ' 60' ' ' HIS . 49.8 t -101.83 134.22 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.35 134.55 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.486 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -92.95 156.14 40.77 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.528 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.501 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 33.4 Cg_exo -56.55 162.76 7.77 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.725 2.283 . . . . 0.0 112.083 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 15.1 p 40.82 25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.416 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' PRO . 57.2 mm-40 -142.4 130.77 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.506 ' CB ' ' HG1' ' A' ' 20' ' ' THR . 0.7 OUTLIER -114.1 122.1 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.529 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -112.92 160.27 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 82.7 mmm -82.05 149.87 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -111.54 -101.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.72 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -127.28 156.7 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.2 tt0 -133.9 153.75 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 123.67 -161.03 18.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ASP . 71.7 ttt180 -92.4 141.28 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.491 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.3 t -123.56 133.6 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -134.98 121.46 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.293 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.81 98.46 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -139.77 156.63 46.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.757 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -110.3 127.79 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.331 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -107.51 135.7 48.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -140.9 124.89 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.188 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -133.73 172.79 12.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.5 t70 -165.58 170.2 14.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.361 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.86 94.66 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.787 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mt -96.94 152.51 38.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.415 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 161.52 2.21 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.829 2.352 . . . . 0.0 112.107 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.74 123.91 32.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.428 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -83.02 178.91 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.93 -29.97 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.46 -38.17 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.548 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 31.1 t80 -63.25 -45.82 89.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.4 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -56.01 -41.56 75.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.459 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.91 -36.66 75.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.547 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 129' ' ' LYS . 31.8 t60 -58.99 -34.07 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.551 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.548 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 96.8 mt-30 -55.13 -36.99 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.519 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.4 -53.34 36.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -68.44 -23.4 64.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.525 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 125' ' ' HIS . 29.6 ttpt -48.59 -43.79 36.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -81.05 118.38 22.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.541 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttp . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.536 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.45 -37.11 65.31 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.6 -38.06 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.57 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.23 129.88 2.36 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.77 146.25 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.347 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -117.17 147.24 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.2 p -63.82 -24.8 67.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.35 -33.7 76.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.579 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.406 HD21 ' HG2' ' A' ' 31' ' ' GLU . 89.6 m-20 -101.05 28.22 5.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.583 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -55.63 -48.3 75.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 m -164.04 -144.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.8 t -124.61 138.5 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.471 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -135.98 152.35 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -126.85 158.7 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.423 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.565 HG11 HD22 ' A' ' 34' ' ' ASN . 0.1 OUTLIER -139.94 -57.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.599 -179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 76.9 m-20 -65.53 -25.75 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.712 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.7 174.31 26.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -99.68 137.74 20.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.43 148.46 5.2 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.83 2.353 . . . . 0.0 112.198 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -84.17 -0.66 52.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -127.51 138.44 52.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.76 129.94 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.633 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.37 -104.17 2.38 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.49 -59.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -96.8 125.97 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -116.29 140.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -144.07 170.61 15.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 108.57 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.69 -71.36 0.4 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.41 125.41 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.637 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HG2' HD21 ' A' ' 9' ' ' ASN . 51.7 mp0 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -64.12 160.32 18.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' CB ' HD21 ' A' ' 36' ' ' LEU . 64.9 m-20 57.65 -158.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.565 HD22 HG11 ' A' ' 15' ' ' VAL . 79.6 m-20 -79.67 8.91 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 112.08 -28.48 9.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 20.6 mt 60.41 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.69 0.281 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 56.5 tp -101.3 126.0 48.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -107.8 125.29 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' THR . 55.0 ttp180 -88.85 115.14 26.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.5 mt -104.89 130.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.29 129.34 64.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.5 t-20 -106.49 101.97 11.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.554 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -54.09 -29.79 45.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.726 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -51.65 -70.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.673 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -93.87 -2.15 53.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 57.98 30.95 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.88 128.94 44.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.406 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 35.6 m0 -83.98 142.4 30.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.663 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.04 144.51 38.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.418 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -123.46 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -125.12 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.503 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 53.4 t-20 -92.22 129.41 38.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.705 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 54' ' ' THR . 23.8 p-10 -103.25 -38.93 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.463 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.555 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.8 p -59.2 117.2 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.688 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 66.4 p -89.06 0.66 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.688 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -113.21 -16.21 12.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -135.63 149.1 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.668 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -93.97 142.99 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.46 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.662 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.66 121.76 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.73 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.444 ' ND1' HG22 ' A' ' 92' ' ' VAL . 47.3 m-70 -106.47 131.57 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.321 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.2 t -111.54 132.42 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.773 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 tp -143.28 95.27 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -115.86 130.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.743 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -108.26 133.13 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.37 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.02 160.4 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.5 t30 -79.15 153.63 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -47.3 -43.69 22.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-20 -79.28 72.1 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.623 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 37.5 m -153.85 112.08 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.606 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -77.44 80.5 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.424 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.57 158.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.603 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 15.5 ttmt -132.34 162.48 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -96.47 138.97 33.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.5 mt -116.59 167.92 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.31 -135.51 9.56 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -92.51 -2.12 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.561 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.3 m -47.5 123.0 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -85.12 127.87 34.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 60.5 tp -122.28 130.78 53.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.576 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.19 152.55 33.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -107.82 151.06 26.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.603 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -105.07 169.78 8.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -65.23 -34.46 78.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.698 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -64.35 -25.24 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.698 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.87 55.17 1.01 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.478 ' HB2' HD21 ' A' ' 84' ' ' ASN . 80.2 mm-40 -136.12 141.58 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.46 133.86 42.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.4 t -121.35 129.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.642 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.11 107.8 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.508 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 p -119.61 144.46 47.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.91 139.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.473 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.444 HG22 ' ND1' ' A' ' 60' ' ' HIS . 40.1 t -97.76 133.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.0 t -112.8 130.33 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.25 152.77 39.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.469 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.84 151.44 71.11 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.752 2.301 . . . . 0.0 112.107 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.32 25.76 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.495 ' OE1' ' CE1' ' A' ' 125' ' ' HIS . 64.0 tt0 -149.09 156.38 42.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -137.91 120.23 15.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 75.5 mm-40 -112.95 160.75 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.2 mtp -84.38 154.82 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -116.89 -103.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.744 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -128.41 157.16 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -134.37 -177.31 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.562 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 96.69 -155.42 20.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -96.75 139.99 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.447 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.8 t -111.88 132.4 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' GLY . 4.3 t30 -137.39 121.38 17.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.6 98.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.51 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.2 p90 -145.92 156.71 43.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 110.816 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -115.74 135.51 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.344 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 m -113.11 134.01 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -142.34 123.08 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 113' ' ' MET . 4.2 mpp? -128.61 172.51 11.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 110.955 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.9 t70 -161.34 170.99 19.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -122.47 89.03 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.679 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 60' ' ' HIS . 9.2 mt -90.12 151.86 45.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.594 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.7 142.26 47.69 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.095 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' A' ' 122' ' ' TYR . 56.4 mt -50.05 105.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.428 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.1 m -67.43 167.05 13.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -51.48 -28.25 12.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.47 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.23 -33.7 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.523 ' CE2' HD13 ' A' ' 118' ' ' LEU . 55.6 t80 -56.53 -44.83 81.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -56.57 -41.2 76.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.452 ' O ' ' OE2' ' A' ' 128' ' ' GLU . 95.2 mt-30 -69.08 -38.77 79.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.555 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.495 ' CE1' ' OE1' ' A' ' 97' ' ' GLU . 60.4 t60 -57.06 -34.21 68.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.491 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 94.8 mt-30 -56.16 -30.37 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.6 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.472 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 128' ' ' GLU . 0.2 OUTLIER -66.96 -37.53 84.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -61.34 -32.06 71.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -91.36 143.67 26.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.577 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' OXT' ' CD ' ' A' ' 131' ' ' LYS . 6.5 tmtt? . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.39 -177.72 51.88 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.1 t -132.91 139.45 47.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.83 135.49 51.14 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -171.48 -153.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.528 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -60.37 155.02 18.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.8 p -111.99 150.97 29.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.598 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -167.16 -95.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.619 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.5 m120 57.16 46.1 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 t -49.86 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.602 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t 42.56 -143.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 t -137.74 138.62 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.537 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.494 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 2.7 m -134.25 110.74 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.619 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 27.3 m-85 -75.99 166.55 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.27 -59.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.136 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 80.8 m-20 -70.8 -26.6 63.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.626 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.51 178.13 35.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 28.8 mmm-85 -98.21 148.02 33.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.531 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 14' ' ' TYR . 41.9 Cg_endo -70.25 143.07 47.4 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.805 2.337 . . . . 0.0 112.2 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 p -77.16 -9.6 58.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -117.3 140.04 50.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -137.65 127.65 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.56 -105.06 2.87 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -147.54 -57.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.596 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -95.04 127.4 41.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.595 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.68 135.84 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -146.86 140.17 25.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -89.2 136.56 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.94 -59.53 2.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -79.98 125.56 29.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.87 -30.6 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 18.1 tptm -66.18 150.59 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 m-20 57.79 -174.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 13' ' ' THR . 4.4 t30 -51.17 -35.68 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.23 -20.1 0.55 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.5 mt 61.06 -76.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.592 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.2 tp -103.64 126.69 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.31 120.82 42.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' THR . 59.0 ttp180 -76.67 122.52 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.1 mt -107.66 129.67 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -133.58 130.63 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.59 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.569 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -112.69 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -52.77 -30.2 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -50.89 -57.0 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.653 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -109.2 -2.59 17.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.658 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER 55.76 34.8 24.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -96.92 122.7 40.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.0 m0 -83.66 143.05 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.63 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.451 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.446 ' CD1' HD21 ' A' ' 37' ' ' LEU . 70.1 m-85 -130.34 139.25 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.584 ' O ' HD12 ' A' ' 37' ' ' LEU . 33.8 t80 -121.73 119.12 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.414 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 58.2 t-20 -81.3 134.68 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 8.7 p-10 -112.9 -41.62 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.515 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.9 p -57.8 111.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 118' ' ' LEU . 70.9 p -81.26 -5.56 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.472 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.1 tt0 -95.85 -45.74 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 m-85 -114.87 153.16 30.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -92.66 150.68 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.504 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.4 119.99 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.733 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -109.07 123.13 48.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.349 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 50' ' ' TYR . 83.6 t -104.0 133.43 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.718 -178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.51 92.27 2.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.361 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.4 t -112.74 135.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.778 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.7 m -111.51 137.57 49.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.67 166.95 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 29.4 t30 -86.28 152.47 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.603 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -47.46 -43.95 24.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.559 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.7 m-20 -81.44 74.0 8.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.59 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 36.3 m -153.65 116.99 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -76.48 81.44 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 71' ' ' ILE . 26.4 pt -125.01 159.96 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.635 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -143.05 164.64 29.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.64 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -94.66 140.54 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.7 mt -102.55 -101.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -57.89 -151.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -62.47 -0.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.553 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.47 ' H ' ' C ' ' A' ' 75' ' ' GLY . 71.8 m -47.35 114.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -78.74 119.89 22.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 47.4 tp -114.29 129.97 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -153.28 154.88 35.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -107.15 150.14 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.419 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 31.9 mm-40 -101.23 179.07 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.13 -41.44 63.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.534 ' ND2' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -58.27 -25.68 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.35 54.96 0.82 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 9.7 mp0 -137.42 150.41 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.646 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -103.49 134.18 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.498 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.481 ' O ' HD12 ' A' ' 79' ' ' LEU . 83.5 t -118.97 139.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.543 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.27 106.31 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 p -119.17 145.82 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.9 146.67 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.5 t -105.53 135.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.71 133.03 65.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -89.18 149.13 42.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.413 ' HG3' ' O ' ' A' ' 54' ' ' THR . 75.3 Cg_exo -41.5 -73.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.693 2.262 . . . . 0.0 112.135 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.47 47.5 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 98' ' ' THR . 2.0 tm-20 -158.41 146.98 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.572 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.489 ' N ' ' CD ' ' A' ' 97' ' ' GLU . 4.6 m -131.04 133.58 45.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -127.92 156.8 42.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 91.1 mmm -83.49 145.81 28.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.68 -104.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.749 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -128.07 161.49 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.549 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.6 pp20? -134.78 -178.68 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.86 -159.23 19.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -95.28 143.43 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.45 136.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.59 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p30 -137.76 122.42 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.348 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.75 95.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.5 156.06 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -105.96 126.36 52.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -111.56 134.77 52.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.55 121.75 14.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.236 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -128.46 164.8 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.992 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.8 t70 -156.24 169.32 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.306 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.528 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.18 97.48 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.739 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.74 151.93 37.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.66 155.79 9.87 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.808 2.339 . . . . 0.0 112.15 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 55' ' ' THR . 22.0 mt -83.98 114.64 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 m -68.43 168.24 13.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.545 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -56.36 -26.79 53.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.64 -35.79 73.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.571 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 35.0 t80 -62.74 -42.9 99.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -55.94 -41.38 74.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.429 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -68.83 -37.58 79.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.575 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -57.7 -32.98 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.456 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.571 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 95.7 mt-30 -58.86 -36.79 75.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.56 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.0 -33.68 76.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -58.96 -35.32 72.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.25 -37.65 81.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.573 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mmt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.81 35.34 45.71 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.5 m -56.42 -35.48 67.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.27 42.3 23.83 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 48.91 -138.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.737 0.303 . . . . 0.0 110.585 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 5' ' ' ALA . 75.7 m 49.08 179.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.7 m -61.38 147.47 44.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.92 -34.74 78.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.518 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.504 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -83.81 161.27 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.6 p -151.05 161.01 43.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.2 p -161.26 -141.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -141.05 136.78 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 m -133.05 138.02 46.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -121.95 167.54 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.94 -53.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.633 -178.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 68.0 m-80 -80.77 2.33 26.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.41 169.14 12.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.79 136.52 21.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.516 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -46.66 147.41 4.5 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.834 2.356 . . . . 0.0 112.248 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -79.35 -5.38 54.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -127.39 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -131.94 129.03 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.79 -114.95 3.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -134.86 -60.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -89.82 128.17 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.98 132.97 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -147.11 171.72 14.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.515 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 114.24 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.39 -72.75 0.34 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.78 -152.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.595 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.88 17.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.513 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASP . 63.8 mttm -108.92 171.45 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.482 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' LYS . 75.5 m-20 41.29 -164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -57.08 -31.04 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.595 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.37 -23.43 0.58 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt 59.79 -76.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.636 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 50' ' ' TYR . 14.0 tp -107.54 129.15 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -108.94 140.25 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.522 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.66 ' NH1' ' CZ ' ' A' ' 50' ' ' TYR . 4.7 tpm_? -92.18 104.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 mt -98.8 127.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.42 128.63 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.2 t-20 -107.44 103.03 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -52.95 -30.85 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.659 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -97.48 -3.06 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.633 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.3 mmtm 57.2 35.95 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.71 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -97.04 126.25 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -86.48 140.63 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.601 ' N ' ' NH2' ' A' ' 39' ' ' ARG . . . -140.6 149.73 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.5 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.66 ' CZ ' ' NH1' ' A' ' 39' ' ' ARG . 38.7 m-85 -122.93 140.05 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.759 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -128.59 120.06 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.599 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 25.0 t-20 -83.32 115.43 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.731 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 63.9 t0 -78.68 -39.07 37.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.44 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 49.8 p -59.3 165.1 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 p -125.38 5.84 7.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -140.62 3.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.88 129.47 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.684 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 8.2 pt-20 -92.85 131.81 37.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.599 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -92.41 119.94 32.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 -179.042 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.462 ' ND1' HG22 ' A' ' 92' ' ' VAL . 35.8 m-70 -101.96 109.93 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG21 ' CD2' ' A' ' 50' ' ' TYR . 62.2 t -87.99 133.31 30.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.775 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 tp -143.31 91.74 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.297 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -113.34 137.05 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.793 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.6 m -114.8 134.04 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.302 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 1.2 m-85 -117.74 160.34 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.735 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.504 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 31.6 t30 -78.18 157.97 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.636 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -49.73 -51.35 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 55.5 t0 -75.93 76.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.598 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 33.8 m -154.02 114.48 3.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.9 t0 -75.93 81.27 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.434 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 71' ' ' ILE . 25.9 pt -124.65 157.89 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -141.77 161.02 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.653 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -90.91 141.24 29.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.475 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.1 mt -103.48 -97.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.35 -150.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.49 1.18 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.447 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.6 m -48.42 116.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.558 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -75.86 121.48 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 88' ' ' VAL . 47.1 tp -116.63 129.63 56.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.401 ' HG3' HE22 ' A' ' 82' ' ' GLN . 20.4 pt-20 -152.98 151.9 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.4 HE21 ' HA2' ' A' ' 85' ' ' GLY . 63.5 tt0 -108.64 151.43 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.401 HE22 ' HG3' ' A' ' 80' ' ' GLU . 26.9 mm-40 -106.21 168.01 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.61 -37.64 87.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.718 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.54 -25.04 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.51 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.718 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.08 54.14 1.13 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' HD21 ' A' ' 84' ' ' ASN . 81.0 mm-40 -136.38 140.52 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.491 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -97.97 129.34 44.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.474 ' O ' HD12 ' A' ' 79' ' ' LEU . 82.7 t -115.02 135.16 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.73 103.66 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.4 p -118.53 143.91 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.72 141.71 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.462 HG22 ' ND1' ' A' ' 60' ' ' HIS . 48.6 t -101.34 132.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.99 133.47 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.496 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -92.67 151.88 41.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.61 148.4 93.1 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.793 2.329 . . . . 0.0 112.057 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.5 t 65.32 22.78 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 125' ' ' HIS . 93.4 mt-10 -147.43 136.37 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.534 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 m -116.09 121.02 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -115.1 161.31 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.0 mmm -85.09 154.61 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.571 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -113.16 -102.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.75 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -129.35 159.38 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.518 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.7 pp20? -132.48 -178.67 5.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.42 -159.53 19.86 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 ttm-85 -94.37 142.32 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.466 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.56 136.7 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.717 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.598 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 7.8 p30 -139.56 121.66 15.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.319 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.21 98.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -132.94 161.87 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -105.43 122.02 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.347 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 p -100.73 118.61 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -129.67 116.63 19.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.216 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.408 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -132.28 170.3 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 110.994 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -157.64 173.31 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.08 88.24 2.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.775 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.424 HD12 ' CE1' ' A' ' 60' ' ' HIS . 4.0 mt -95.66 155.08 38.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.447 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.44 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 70.3 Cg_endo -77.1 141.2 20.64 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.758 2.305 . . . . 0.0 112.146 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 122' ' ' TYR . 27.2 mt -42.03 104.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.421 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.0 m -66.55 170.84 5.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.579 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -53.23 -29.69 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.53 -35.03 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.404 ' CE2' HD13 ' A' ' 118' ' ' LEU . 73.6 t80 -58.9 -39.91 82.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.431 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -59.5 -40.73 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.478 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -68.62 -36.68 78.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.519 ' NE2' ' OE2' ' A' ' 97' ' ' GLU . 32.4 t60 -57.23 -25.28 58.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.525 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.11 -20.95 64.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.487 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -92.06 -58.81 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 129' ' ' LYS . 18.8 pt-20 -45.08 -41.55 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 128' ' ' GLU . 16.3 ptmt -75.12 -41.86 57.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.578 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 129' ' ' LYS . 63.8 t0 -68.96 -46.31 68.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.8 tttp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.525 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mmm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.16 32.75 0.6 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.3 t -88.95 124.31 34.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.525 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.98 -175.64 50.92 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.14 151.45 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.564 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -83.28 4.76 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.4 p -61.81 -28.27 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.576 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -58.68 140.85 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -113.94 133.78 55.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -58.36 -43.37 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m 41.99 -146.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.0 135.28 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -123.19 130.83 53.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -102.57 173.28 6.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.515 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.75 -57.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.621 -179.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 72.1 m-80 -65.26 -27.38 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.657 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.07 170.43 31.93 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -95.97 150.85 37.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.07 137.17 19.12 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.8 2.333 . . . . 0.0 112.232 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.43 HG22 ' OG1' ' A' ' 98' ' ' THR . 9.5 t -80.58 0.34 34.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -129.51 134.97 48.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.68 125.57 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.31 -108.6 3.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -146.77 -58.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -89.94 105.97 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -105.8 142.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.85 171.49 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.494 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -133.94 104.39 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -40.7 -69.6 0.47 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -82.69 117.45 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.61 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.35 -30.77 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -58.71 159.0 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 55.15 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -53.75 -33.1 54.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.85 -25.3 0.56 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 20.2 mt 60.72 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.684 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 35' ' ' GLY . 49.2 tp -110.09 125.35 52.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -110.49 126.56 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.458 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -90.58 115.47 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.672 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -106.83 133.41 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 48' ' ' TRP . 39.7 t -134.31 128.17 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.639 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.9 t-20 -108.79 100.22 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -54.44 -31.8 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.662 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -55.86 -50.87 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.639 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -106.97 -3.11 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.608 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.639 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.02 26.14 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.694 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -99.13 129.97 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CD1' HG13 ' A' ' 41' ' ' VAL . 28.4 m0 -87.21 151.17 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.3 147.56 29.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -125.4 141.0 52.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.718 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -124.1 115.92 21.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.464 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -87.19 131.61 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.537 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 2.6 p30 -107.68 -35.5 6.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.404 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.1 p -58.12 118.12 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.3 p -90.51 0.49 57.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 tt0 -104.45 -44.78 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.447 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -113.39 151.89 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 -179.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.22 147.63 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.46 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.65 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.02 122.71 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -109.89 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.7 132.99 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -142.53 93.41 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.33 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.18 133.45 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.782 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -111.89 135.18 52.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -118.66 164.9 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.499 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.0 t30 -82.76 155.7 24.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.46 -47.58 38.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.88 72.47 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.499 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 33.9 m -154.31 114.36 3.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.91 82.03 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.3 pt -131.25 159.19 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HZ1' ' CD ' ' A' ' 103' ' ' GLU . 25.1 pttm -142.35 -170.6 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -112.47 140.39 47.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.3 mt -99.93 -100.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.16 -144.38 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.36 -5.0 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.0 m -45.6 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -83.05 122.12 27.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 46.3 tp -114.99 130.13 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HG3' HE22 ' A' ' 82' ' ' GLN . 21.2 pt-20 -152.19 152.64 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -104.92 151.35 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.4 HE22 ' HG3' ' A' ' 80' ' ' GLU . 28.7 mm-40 -100.96 173.4 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -71.31 -33.66 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.677 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -64.27 -25.55 68.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.561 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.677 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 103.17 56.69 0.78 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.5 mt-10 -141.67 152.39 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -105.49 138.95 40.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 93.5 t -127.47 136.7 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.09 107.53 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.6 p -116.95 144.91 44.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.1 p -161.85 150.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.469 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.26 134.45 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.35 126.09 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.453 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -85.2 159.55 56.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.25 154.57 73.65 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.779 2.319 . . . . 0.0 112.126 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m 58.83 15.76 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.468 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -136.12 152.62 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' HG22 ' A' ' 20' ' ' THR . 3.1 m -130.33 136.23 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -132.75 158.73 41.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.0 mmm -83.62 152.05 25.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 18.2 t80 -111.29 -100.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.4 pp -126.5 163.46 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' CD ' ' HZ1' ' A' ' 72' ' ' LYS . 83.4 tt0 -142.98 153.14 42.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.35 -156.88 20.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -95.46 138.07 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.18 136.09 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.783 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -149.6 117.48 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.335 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.1 97.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -146.88 161.85 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -114.89 128.51 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.263 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.3 m -111.76 133.27 54.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -139.32 123.73 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.264 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.6 mpp? -130.3 169.43 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.992 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.9 t0 -158.41 171.89 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.304 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -123.84 87.53 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.705 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.71 150.25 53.05 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.7 146.34 48.5 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.872 2.381 . . . . 0.0 112.065 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 122' ' ' TYR . 14.2 mt -67.51 139.37 56.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.459 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.6 t -123.16 -161.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.597 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.2 -32.64 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.71 -39.86 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CZ ' ' NE2' ' A' ' 126' ' ' GLN . 24.6 t80 -68.27 -42.31 79.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -60.02 -41.49 92.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.444 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.53 -37.84 85.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.524 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.6 ' NE2' ' NZ ' ' A' ' 129' ' ' LYS . 29.5 t60 -56.61 -11.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.449 ' NE2' ' CZ ' ' A' ' 122' ' ' TYR . 81.2 mt-30 -90.1 -22.43 21.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 130' ' ' ASP . . . -72.61 -46.19 55.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.458 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.528 ' OE2' ' ND1' ' A' ' 125' ' ' HIS . 22.0 pt-20 -56.67 -30.01 62.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.558 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.6 ' NZ ' ' NE2' ' A' ' 125' ' ' HIS . 64.1 mttm -56.48 -25.35 50.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 127' ' ' ALA . 51.2 p30 -139.67 173.89 11.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.617 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.88 130.91 33.71 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.18 -36.21 82.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 -162.57 22.97 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.7 145.51 11.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 110.533 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 7' ' ' SER . 87.3 p -60.87 -27.73 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 6' ' ' SER . 35.0 m 53.21 168.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.531 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.553 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 50.6 mp0 -60.37 138.15 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.653 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -91.98 3.35 55.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 11' ' ' SER . 86.6 p -61.79 -66.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.595 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' OG ' ' A' ' 10' ' ' SER . 5.8 m 40.23 -161.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.55 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 t -133.24 139.97 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -132.55 152.03 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -129.76 170.55 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.398 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.62 -58.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.677 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.569 ' N ' HG22 ' A' ' 15' ' ' VAL . 71.0 m-80 -63.92 -28.81 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.629 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.76 171.95 31.63 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -94.3 149.93 37.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.0 138.61 18.52 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.864 2.376 . . . . 0.0 112.2 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -77.7 -13.69 59.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -114.92 130.51 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.49 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.57 123.6 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.25 -105.39 2.96 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -148.33 -54.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.553 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -95.2 126.95 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.596 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -118.97 137.09 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.47 135.58 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' CD ' ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -86.57 110.76 20.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.499 -179.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.3 -51.15 49.07 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -89.22 131.02 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.585 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.8 16.09 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -117.13 148.89 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 35' ' ' GLY . 60.7 m-20 59.51 -159.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.519 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' C ' ' H ' ' A' ' 36' ' ' LEU . 22.4 m120 -72.08 36.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 72.33 -22.35 0.82 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 34' ' ' ASN . 26.3 mt 60.36 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.569 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' GLY . 12.1 tp -104.11 134.59 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -112.23 123.7 50.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -81.12 107.8 14.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.576 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.96 132.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.507 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.85 127.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.4 t-20 -105.81 103.48 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.589 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -54.39 -33.48 59.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.688 ' HZ2' ' HG2' ' A' ' 45' ' ' LYS . 21.5 ttpp -45.32 -65.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HG2' ' HZ2' ' A' ' 44' ' ' LYS . 42.4 mmtm -102.48 -1.84 29.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER 55.97 36.78 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.669 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -98.08 125.94 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -83.28 144.66 29.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.637 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.11 152.54 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' CD1' HD21 ' A' ' 37' ' ' LEU . 75.1 m-85 -129.5 139.06 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.757 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -124.23 113.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.468 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 61.0 t-20 -79.82 135.09 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 22.0 p-10 -109.72 -43.09 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.528 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 16.9 p -57.4 128.96 39.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.9 p -98.89 11.33 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.81 -35.22 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.681 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 5.7 m-85 -116.41 144.84 43.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.705 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -92.44 145.45 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.83 119.28 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.06 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CE1' HD12 ' A' ' 116' ' ' LEU . 50.5 m-70 -107.58 121.14 44.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.335 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.1 t -101.99 133.76 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.1 tp -142.81 91.54 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 130.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.6 m -109.02 136.18 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.16 160.85 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.763 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 42.9 t30 -82.38 155.39 24.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -48.09 -43.05 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.5 m-20 -78.35 69.86 4.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.513 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.2 m -153.7 115.67 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -78.77 80.08 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.9 pt -127.55 160.86 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.29 -169.76 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -112.25 141.61 45.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' GLY . 90.9 mt -102.69 -99.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.65 -141.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -71.97 -6.57 42.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -44.63 116.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -80.09 122.67 27.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 41.4 tp -114.03 129.51 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HG3' HE22 ' A' ' 82' ' ' GLN . 21.3 pt-20 -151.46 153.3 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -108.48 151.64 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.651 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.4 HE22 ' HG3' ' A' ' 80' ' ' GLU . 23.6 mm-40 -103.67 168.53 9.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.481 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.53 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.681 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.21 -25.59 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.681 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.83 55.16 0.89 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.47 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.0 mt-10 -141.62 149.65 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.579 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -102.32 138.38 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 88.2 t -124.22 136.35 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.45 105.71 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.2 p -117.69 146.04 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.621 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.86 146.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.52 135.78 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.656 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 t -116.38 129.0 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.457 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -91.32 155.31 44.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -61.61 155.72 51.73 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.28 . . . . 0.0 112.043 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.9 t 59.95 9.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.06 148.56 52.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -128.9 138.19 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -134.93 156.52 48.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.7 mtp -83.62 154.31 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.653 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -109.38 -100.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -133.81 161.41 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.3 pt-20 -137.08 -178.02 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.614 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 -157.46 18.69 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -95.59 135.59 37.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 0.0 110.425 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.17 129.8 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.457 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 5.6 t30 -134.79 121.1 20.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.321 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.66 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -140.1 163.93 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -127.6 127.36 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.391 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -103.96 135.28 45.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -139.92 122.1 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.217 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -128.23 168.31 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 111.018 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -155.5 173.1 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.298 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.39 88.83 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 60' ' ' HIS . 9.8 mt -90.25 150.3 42.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.97 142.63 31.62 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.834 2.356 . . . . 0.0 112.136 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.91 109.92 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.9 m -80.74 -175.35 5.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.46 -26.59 65.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.413 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.53 -39.32 79.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.468 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -65.44 -40.74 93.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.389 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -57.74 -39.68 77.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -70.2 -36.89 74.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -57.87 -24.99 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.502 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -66.85 -22.49 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 130' ' ' ASP . . . -91.52 -60.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.465 -178.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 129' ' ' LYS . 17.7 pt-20 -44.26 -42.5 6.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.502 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 128' ' ' GLU . 25.2 pttt -71.83 -23.09 61.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 127' ' ' ALA . 61.9 t0 -83.12 119.64 24.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.3 tptt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.584 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.489 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.486 ' O ' ' SG ' ' A' ' 3' ' ' CYS . . . -63.63 141.97 46.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 2' ' ' GLY . 75.8 m -153.95 1.22 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.621 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.3 31.87 45.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 7' ' ' SER . . . -65.85 138.15 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.582 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t 61.34 -3.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.537 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 5' ' ' ALA . 10.0 p -106.04 -6.84 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.619 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 2.8 pp20? -73.61 144.18 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.582 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -88.83 -67.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -117.4 146.58 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.606 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -158.14 -169.38 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 t -135.69 135.03 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.504 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -126.65 138.18 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.644 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -116.13 170.01 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -129.02 -55.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.621 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 69.4 m-80 -76.64 -24.4 53.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.632 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.21 175.39 25.38 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -86.14 154.59 57.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.59 143.59 63.1 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.859 2.373 . . . . 0.0 112.204 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.3 m -72.96 -25.37 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -106.58 134.7 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.33 132.73 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.08 -109.57 2.25 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -148.43 -60.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.562 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -92.83 128.01 38.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.08 134.12 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -141.83 134.85 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -77.81 135.07 37.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.61 -59.28 2.39 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -84.7 126.22 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.602 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.2 -20.25 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -73.0 154.94 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 52.61 -170.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -52.86 -36.5 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 162.2 -21.9 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 30.4 mt 60.57 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.566 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.0 tp -104.94 130.44 53.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.46 122.78 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.495 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' THR . 66.1 ttp85 -78.43 107.97 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -97.11 131.93 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.6 129.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.6 t-20 -106.07 101.63 11.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -52.42 -33.55 44.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HZ2' ' HB3' ' A' ' 44' ' ' LYS . 17.2 mtpp -49.41 -70.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 92.9 mttt -92.89 -4.86 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 56.62 38.04 29.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.71 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -100.34 124.17 45.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.478 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.417 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 29.9 m0 -81.27 146.77 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.13 29.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.492 ' CD2' HG21 ' A' ' 61' ' ' VAL . 75.2 m-85 -124.44 136.64 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.592 ' O ' HD12 ' A' ' 37' ' ' LEU . 27.3 t80 -122.69 123.2 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -91.73 125.57 36.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.743 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 29.5 p-10 -99.4 -35.88 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.527 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -58.23 122.83 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.673 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 51.3 p -96.12 12.86 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.673 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -124.32 -14.48 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.603 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 2.7 m-85 -139.89 142.96 36.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.653 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 11.7 pm0 -92.01 147.38 23.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.614 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.07 120.3 35.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.746 -179.551 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.445 ' NE2' HD12 ' A' ' 116' ' ' LEU . 24.1 m-70 -101.98 123.09 45.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.339 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 50' ' ' TYR . 55.2 t -102.81 126.42 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.795 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.6 tp -141.48 91.3 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.307 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.7 t -113.05 132.06 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.1 m -109.91 133.26 53.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.377 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -117.46 160.17 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.4 t30 -81.76 156.53 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -47.56 -42.73 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.454 ' C ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -78.6 69.64 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.85 112.39 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.623 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -80.0 77.9 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.3 pt -117.36 155.9 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 103' ' ' GLU . 30.5 ttpt -126.17 166.94 16.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.648 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -104.16 136.67 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 mt -114.35 173.09 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.6 -137.46 1.78 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.08 -3.12 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.524 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.2 m -46.0 120.91 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.74 128.05 34.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 51.1 tp -120.85 130.09 53.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.422 ' HG3' HE22 ' A' ' 82' ' ' GLN . 20.4 pt-20 -152.07 153.24 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.515 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' C ' ' NE2' ' A' ' 82' ' ' GLN . 60.4 tt0 -106.92 152.28 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.422 HE22 ' HG3' ' A' ' 80' ' ' GLU . 17.5 mm-40 -106.12 168.33 9.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -64.07 -36.99 85.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.716 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -59.01 -24.84 63.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.716 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.39 53.59 1.14 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.1 mt-10 -139.32 151.5 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -103.27 143.39 32.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.476 ' O ' HD12 ' A' ' 79' ' ' LEU . 91.5 t -129.87 131.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.94 107.73 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -120.33 143.57 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.55 138.79 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.407 HG22 ' ND1' ' A' ' 60' ' ' HIS . 66.1 t -97.8 136.11 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.2 t -117.59 130.2 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -90.2 157.15 45.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.47 153.92 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.704 2.269 . . . . 0.0 112.124 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m 58.98 16.42 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -137.84 143.7 41.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.551 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 m -127.42 125.71 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -120.25 164.07 16.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.2 mmm -85.38 154.62 21.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.641 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -114.91 -103.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.724 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.14 157.47 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 72' ' ' LYS . 83.5 tt0 -135.7 156.08 49.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.33 -160.38 14.32 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -91.29 139.83 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.381 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.2 t -113.35 132.15 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.751 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' GLY . 3.4 t30 -138.76 121.04 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 44.89 98.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 106' ' ' VAL . 26.5 p90 -146.2 157.14 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.746 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 133.59 55.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.342 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 m -112.02 133.78 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -138.09 121.46 17.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.237 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.7 mtm -130.84 160.98 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.969 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 34.0 t0 -155.28 170.27 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -127.29 92.73 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.764 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.445 HD12 ' NE2' ' A' ' 60' ' ' HIS . 21.6 mt -88.81 165.86 25.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.468 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 4.0 Cg_exo -82.48 132.52 6.87 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.915 2.41 . . . . 0.0 112.17 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 mt -54.54 111.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.437 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -83.8 -174.49 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -57.05 -30.42 64.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.44 -38.15 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.492 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 34.1 t80 -62.85 -45.65 91.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.393 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -58.93 -41.75 88.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.506 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.41 -37.78 87.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.602 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -59.09 -41.56 88.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.492 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 96.6 mt-30 -48.74 -21.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.513 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.45 70.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -72.9 -28.3 62.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.542 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -59.07 -39.55 82.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.537 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -164.17 164.43 22.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 39.7 tptt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.545 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.22 -33.15 57.71 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.4 m 45.8 51.25 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.539 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.83 -31.4 54.46 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.21 157.33 44.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -68.68 142.92 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.3 p -75.99 162.84 27.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -92.52 155.3 17.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.602 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 56.46 44.61 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 t -161.12 -27.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.666 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 t -68.93 -159.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.552 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.34 140.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.453 ' CG2' HD21 ' A' ' 34' ' ' ASN . 14.5 t -133.71 155.65 49.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.651 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' NE ' ' A' ' 18' ' ' ARG . 87.0 m-85 -128.08 166.54 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.09 -57.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.6 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.55 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 83.2 m-20 -69.34 -26.13 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.62 -178.66 32.96 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.6 ' NE ' ' CD1' ' A' ' 14' ' ' TYR . 25.5 mmm-85 -105.06 139.78 20.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.514 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -47.07 145.45 7.41 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.827 2.351 . . . . 0.0 112.206 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.2 m -75.79 -32.29 59.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -91.58 138.61 31.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 158.79 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.53 -129.01 1.12 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -144.88 -66.58 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -88.09 127.63 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -122.79 131.55 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.81 143.5 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -83.77 135.16 34.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.68 -58.52 3.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -86.76 134.54 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.62 -4.83 57.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -102.65 160.42 14.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.544 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.474 ' CB ' HD21 ' A' ' 36' ' ' LEU . 79.7 m-20 57.01 -162.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.482 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.68 43.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.561 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.25 -28.24 0.82 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 34' ' ' ASN . 29.0 mt 61.65 -77.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.624 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.8 tp -103.88 131.22 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -109.4 128.88 55.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -82.71 111.56 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.61 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -97.14 128.04 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.506 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.61 129.44 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.598 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.82 101.66 10.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -55.19 -31.46 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.74 -65.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -91.88 -5.82 52.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.6 mmtp 54.28 39.39 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -108.91 126.91 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.484 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 35.4 m0 -84.32 148.21 26.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.39 150.16 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' CD1' HD21 ' A' ' 37' ' ' LEU . 58.9 m-85 -128.02 140.32 52.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.724 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . 25.9 t80 -126.46 123.83 38.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.449 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -87.06 114.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.687 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.55 ' OD2' ' ND2' ' A' ' 16' ' ' ASN . 21.9 t70 -86.72 -36.2 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.8 p -62.14 133.36 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.559 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 p -103.42 8.03 38.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.564 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -111.34 -42.26 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.2 149.67 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.4 pt-20 -92.05 148.46 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.459 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -95.22 121.32 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.716 -179.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.406 ' CE1' HD12 ' A' ' 116' ' ' LEU . 41.4 m-70 -110.71 118.15 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.363 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.58 133.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.78 91.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.347 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.45 132.37 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -109.93 132.3 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.418 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -115.76 159.77 20.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.693 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.553 HD22 ' CG ' ' A' ' 68' ' ' ASP . 22.0 t30 -79.06 157.03 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -49.49 -50.9 39.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.556 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 53.9 p30 -73.22 72.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.566 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 31.5 m -153.84 114.86 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.618 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' ARG . 44.1 t0 -75.18 82.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.466 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.3 pt -127.47 161.02 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 73' ' ' ALA . 9.6 ttpp -148.25 160.21 43.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -86.35 153.61 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 103' ' ' GLU . 96.6 mt -112.64 -104.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.598 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 77' ' ' THR . . . -109.48 135.14 12.67 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -178.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 66.31 -55.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 110.488 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' GLY . 92.0 m -46.93 121.76 3.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -93.83 127.58 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 60.4 tp -110.19 132.35 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -150.77 146.3 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.49 152.63 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -107.54 169.54 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.711 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.53 -25.15 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.631 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.711 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.42 53.97 1.11 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.459 ' HB2' HD21 ' A' ' 84' ' ' ASN . 99.0 mt-10 -137.6 144.24 41.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.588 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -99.57 137.8 37.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.2 t -123.83 132.76 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.95 107.87 5.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.474 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -118.31 145.42 45.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -161.17 138.54 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.4 t -101.62 132.0 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.8 t -113.52 133.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.478 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -95.5 153.01 39.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.47 154.46 24.47 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.784 2.323 . . . . 0.0 112.064 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m 54.65 21.31 3.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -138.74 155.26 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -138.96 120.23 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -113.21 165.78 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.408 ' HB2' ' H ' ' A' ' 75' ' ' GLY . 86.7 mmm -86.59 148.53 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -110.38 -103.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -129.72 162.56 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.551 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.509 ' CD ' HD21 ' A' ' 74' ' ' LEU . 22.2 pt-20 -134.94 -178.72 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.17 -160.65 20.71 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 70' ' ' ASP . 73.2 ttt-85 -95.15 142.39 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.431 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.484 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.2 t -124.27 135.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -148.41 117.58 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.3 p90 -152.93 155.36 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -105.43 133.2 50.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.292 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.2 m -114.06 135.61 53.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.979 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -136.97 116.85 13.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.224 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -125.42 162.56 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.017 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 38.1 t0 -158.27 171.57 19.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.299 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.05 88.8 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.406 HD12 ' CE1' ' A' ' 60' ' ' HIS . 13.7 mt -86.55 161.89 46.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.451 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 12.6 Cg_exo -70.94 152.92 63.64 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.811 2.341 . . . . 0.0 112.162 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 mt -79.69 109.85 14.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.516 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.1 m -74.67 176.36 7.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -55.02 -30.65 59.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -54.68 -38.11 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.46 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 28.5 t80 -62.2 -43.11 99.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.56 -40.51 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.451 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -69.56 -36.2 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.525 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 43.6 t60 -59.09 -13.52 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.467 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.46 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 91.8 mt-30 -83.02 -17.75 42.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.39 -47.56 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.497 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' A' ' 128' ' ' GLU . 1.4 pp20? -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.562 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -65.4 -29.25 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -142.74 -79.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 53.9 tttp . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.595 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ptt? . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.15 -45.98 0.46 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -58.22 -34.82 70.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.836 0.35 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.65 90.43 0.11 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.79 -28.95 70.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.823 0.344 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 7' ' ' SER . 28.3 t 50.59 -174.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.489 ' N ' ' OG ' ' A' ' 6' ' ' SER . 11.0 p 44.35 73.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.32 -32.01 72.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.533 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 55.99 44.7 25.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 p -70.44 159.89 33.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.8 m -148.02 163.75 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.59 138.52 52.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.5 t -137.34 144.47 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.695 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -132.22 158.36 41.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.492 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.93 -58.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.614 -179.142 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' VAL . 82.4 m-20 -64.3 -26.84 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.634 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 166.62 158.47 11.22 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.606 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -89.94 154.2 47.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.505 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -76.69 132.58 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.836 2.357 . . . . 0.0 112.222 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -67.59 -30.75 70.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.515 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' O ' HD13 ' A' ' 40' ' ' ILE . 65.9 t80 -105.66 130.93 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.45 126.72 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA2' HD22 ' A' ' 42' ' ' ASN . . . -106.77 -111.85 3.62 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -142.85 -59.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.305 . . . . 0.0 110.641 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -84.92 110.11 18.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -110.76 145.81 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.619 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.37 171.61 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -127.52 101.65 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.05 -68.66 0.6 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -74.75 129.48 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.581 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -86.07 7.21 25.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -104.68 157.78 16.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 57.0 -171.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.577 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 34' ' ' ASN . 2.4 m120 -50.79 -32.94 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 155.63 -23.92 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 22.4 mt 61.38 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.592 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' GLY . 58.7 tp -108.16 126.73 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -112.37 126.04 54.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -87.63 126.34 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' PHE . 19.2 mt -114.84 128.21 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.46 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 48' ' ' TRP . 44.2 t -131.13 127.99 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -106.97 102.8 12.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.8 -29.9 55.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -69.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -90.62 -4.22 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.1 mmtp 55.35 34.68 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -103.14 126.59 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CD1' HG13 ' A' ' 41' ' ' VAL . 36.3 m0 -83.98 145.58 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.6 152.73 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.97 143.22 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.784 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 17' ' ' GLY . 64.5 t80 -125.76 128.71 48.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.592 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 20.3 t-20 -95.44 139.01 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.624 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 54' ' ' THR . 28.1 p-10 -113.44 -40.58 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.576 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.28 117.47 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.471 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 43.3 p -90.73 7.87 37.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -120.61 -19.86 7.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.64 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -134.26 141.52 47.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.649 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.597 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.5 pm0 -91.63 145.73 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.46 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.592 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -95.98 116.92 29.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.478 ' CE1' HD12 ' A' ' 116' ' ' LEU . 22.0 m-70 -95.03 126.55 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.375 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.61 129.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.778 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.7 tp -142.55 91.76 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.331 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.18 134.5 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.0 m -110.86 138.27 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.394 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.97 166.33 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.702 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.573 HD22 ' CG ' ' A' ' 68' ' ' ASP . 24.2 t30 -84.34 156.71 21.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -49.23 -51.71 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.573 ' CG ' HD22 ' A' ' 66' ' ' ASN . 48.0 p30 -74.81 74.98 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.584 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 35.4 m -153.55 114.45 4.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.88 80.7 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.0 pt -123.45 153.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.606 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 72' ' ' LYS . 14.3 mtpp -130.03 175.25 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.666 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -109.23 135.67 49.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.497 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' GLY . 75.5 mt -101.36 -98.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -55.17 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -63.3 2.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 75' ' ' GLY . 97.8 m -49.93 116.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -77.78 120.43 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 88' ' ' VAL . 44.4 tp -115.21 130.58 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' HG3' HE22 ' A' ' 82' ' ' GLN . 18.6 pt-20 -155.43 156.85 36.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -108.33 151.27 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.408 HE22 ' HG3' ' A' ' 80' ' ' GLU . 22.9 mm-40 -104.05 168.36 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.12 -35.25 80.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.705 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -60.9 -25.46 66.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.705 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 100.99 56.62 0.88 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HB2' HD21 ' A' ' 84' ' ' ASN . 96.6 mt-10 -143.97 150.03 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.66 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -103.87 136.5 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.472 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.9 t -122.4 139.67 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.609 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.5 103.22 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.0 p -114.69 144.07 44.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.75 143.25 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.481 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.431 HG22 ' ND1' ' A' ' 60' ' ' HIS . 59.3 t -99.5 135.53 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -112.96 130.32 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.432 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -94.63 151.01 38.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.31 149.71 89.74 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.792 2.328 . . . . 0.0 112.184 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 t 63.6 20.06 12.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.576 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 95.5 mt-10 -146.56 134.08 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.528 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 m -111.93 135.15 52.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -128.5 157.49 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.576 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.3 mtp -82.66 154.41 24.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -113.5 -101.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.738 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -131.53 160.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 102' ' ' ILE . 23.5 pt-20 -133.81 -177.62 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.81 -157.98 20.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.95 146.91 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 110.439 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -132.96 137.64 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.584 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.4 p30 -139.71 122.38 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.5 97.96 0.01 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -138.54 157.76 45.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' H ' ' HD2' ' A' ' 110' ' ' LYS . 2.4 mptp? -108.17 130.42 55.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.357 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 m -114.44 132.54 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -137.43 126.24 24.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.211 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.415 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -135.33 166.4 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 7.2 t70 -156.33 169.9 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -120.98 93.33 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.748 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' A' ' 60' ' ' HIS . 7.6 mt -91.96 151.49 42.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.472 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 132.95 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.861 2.374 . . . . 0.0 112.158 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.48 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.6 mt -51.65 114.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.402 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.7 m -83.65 -171.54 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.55 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.96 -31.74 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -54.98 -41.02 70.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.51 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.36 -40.9 98.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -58.73 -43.15 90.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.95 -39.17 76.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.576 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 20.5 t60 -53.02 -49.11 66.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.497 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.583 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.62 -37.49 86.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.491 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.77 -34.88 78.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.94 -31.63 68.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 131' ' ' LYS . 47.4 t0 58.75 155.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 15.7 ptpt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.563 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.551 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.91 139.04 42.39 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -139.64 142.44 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.72 22.42 59.92 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 6' ' ' SER . . . -147.45 155.56 42.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.59 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 7' ' ' SER . 11.6 t 54.77 163.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 6' ' ' SER . 44.1 t 51.6 172.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -117.69 139.47 50.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' SER . 18.7 m120 57.06 41.83 26.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' ASN . 37.2 m 42.01 94.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.5 m -163.29 -145.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.522 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 t -140.3 135.88 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -126.12 134.15 51.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE2' ' CD ' ' A' ' 19' ' ' PRO . 52.1 m-85 -112.9 174.28 5.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.401 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.519 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.53 -57.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.615 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.3 m-20 -67.24 -27.29 67.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.95 171.41 30.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -92.76 148.87 36.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.562 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CE2' ' A' ' 14' ' ' TYR . 52.1 Cg_endo -71.23 137.69 31.74 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.821 2.347 . . . . 0.0 112.243 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -75.07 -10.81 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -120.61 137.71 54.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.92 126.11 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 -105.17 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -146.42 -57.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -94.95 128.14 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -122.16 135.39 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.14 131.72 30.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -85.76 118.65 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.527 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.45 -79.65 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -83.24 122.02 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.603 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -62.18 -28.83 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -63.87 156.45 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.466 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.468 ' CB ' HD21 ' A' ' 36' ' ' LEU . 44.1 m-20 60.97 -159.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -82.03 20.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 99.39 -21.55 44.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 33' ' ' ASP . 27.5 mt 60.24 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 110.598 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 51' ' ' TYR . 13.1 tp -112.22 133.68 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.626 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -104.72 127.69 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -85.56 97.87 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -87.8 131.19 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.506 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 48' ' ' TRP . 46.4 t -135.91 126.11 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 12.5 t-20 -104.81 100.74 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -54.14 -29.54 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.79 -70.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 64.4 mttp -90.8 -4.19 56.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 56.28 32.89 21.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -100.09 124.16 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.44 ' CD1' HG13 ' A' ' 41' ' ' VAL . 40.2 m0 -84.74 145.43 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.676 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.77 151.02 39.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.421 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 37' ' ' LEU . 62.0 m-85 -127.56 138.5 52.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.732 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' O ' HD12 ' A' ' 37' ' ' LEU . 36.8 t80 -121.59 120.3 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -87.81 132.59 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.552 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 25.5 p-10 -109.31 -38.18 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.525 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 13.4 p -57.55 123.57 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.519 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 72.7 p -96.95 9.69 41.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.676 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.519 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -123.11 -15.31 7.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.83 146.43 47.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.14 146.46 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.36 118.33 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 -179.462 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 116' ' ' LEU . 50.5 m-70 -106.26 121.03 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.329 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.6 t -104.85 133.11 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.791 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 tp -142.57 92.07 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.33 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 134.56 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.2 m -112.51 135.47 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.323 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -118.87 163.82 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.683 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.9 t30 -80.9 155.75 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.587 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -49.34 -46.21 46.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.2 m-20 -77.69 72.25 4.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 34.7 m -153.3 114.66 4.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -75.59 81.8 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.14 161.83 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 -173.22 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -113.11 137.27 51.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 75' ' ' GLY . 71.2 mt -99.99 -97.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.52 -148.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -69.46 0.75 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 110.485 -179.672 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.2 m -49.16 119.18 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -80.99 121.85 26.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 53.4 tp -116.25 129.48 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -152.06 152.91 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.414 HE21 ' HA2' ' A' ' 85' ' ' GLY . 63.3 tt0 -108.25 150.97 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -106.02 167.0 10.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.82 -36.67 81.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.706 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.43 -25.31 67.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.706 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 98.85 54.39 1.13 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 84' ' ' ASN . 80.7 mm-40 -135.63 141.58 45.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 110.673 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -98.32 131.96 44.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.475 ' O ' HD12 ' A' ' 79' ' ' LEU . 86.6 t -119.77 133.89 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.44 104.29 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -116.47 144.57 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.4 142.01 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.54 133.56 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.94 129.92 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.39 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -90.8 157.58 43.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.497 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.82 154.14 75.15 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.718 2.279 . . . . 0.0 112.066 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.2 m 60.0 17.33 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.566 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 95.2 mt-10 -143.23 145.92 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.494 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -124.77 138.85 54.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -132.57 158.32 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.683 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.7 mtp -83.26 154.56 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.56 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.93 -101.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.2 pp -128.14 159.7 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.4 tt0 -138.38 153.23 48.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 127.3 -160.09 21.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -92.76 137.12 32.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.44 136.48 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.736 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 8.5 p30 -140.01 121.75 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.263 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.56 97.88 0.01 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -137.18 155.63 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.695 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -106.4 125.14 50.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.362 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -109.21 136.93 47.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -136.61 118.17 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 79.0 mtm -125.03 171.09 10.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.6 t0 -166.59 172.62 10.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.35 87.44 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.715 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 60' ' ' HIS . 10.7 mt -86.46 150.66 51.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.09 149.51 58.55 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.794 2.329 . . . . 0.0 112.161 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.98 119.7 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.386 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.7 m -86.67 -177.38 6.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.48 -26.02 64.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.75 -41.72 87.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.486 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.487 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 35.5 t80 -66.65 -40.99 88.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.441 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -55.92 -39.95 72.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.508 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -71.15 -35.51 71.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.62 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.566 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 14.5 t60 -59.99 -27.15 66.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.497 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.487 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 97.0 mt-30 -62.93 -34.42 77.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.7 -61.96 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.579 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -62.43 -14.03 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -46.79 -43.92 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.6 p30 -100.29 170.31 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.638 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.602 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mtp . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.87 31.96 46.92 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.97 -39.12 74.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.558 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.98 79.18 0.08 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.06 67.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.39 . . . . 0.0 110.618 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -81.71 11.86 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.549 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -54.5 -34.44 61.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -57.12 129.56 42.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -71.54 -36.89 71.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.7 m -64.94 148.04 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.611 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.1 t 177.83 13.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' H ' ' H ' ' A' ' 11' ' ' SER . 2.9 t -146.03 138.54 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.482 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -137.43 134.8 36.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.677 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -117.99 160.98 20.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.446 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.83 -57.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.7 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 83.0 m-20 -71.12 -24.57 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.645 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.51 170.73 24.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -100.35 133.25 21.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -46.73 147.47 4.56 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.773 2.316 . . . . 0.0 112.235 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -78.69 -7.47 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -122.62 136.15 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.537 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.83 127.62 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.505 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.28 3.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -146.34 -58.3 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.377 . . . . 0.0 110.644 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -94.46 129.47 41.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -118.49 137.66 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -144.26 133.39 22.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.681 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -89.21 138.42 31.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.42 -71.95 1.14 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -74.92 136.16 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.612 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -93.49 55.51 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -144.99 144.89 31.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 36.2 t0 62.99 -138.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.505 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 80.8 m-20 -86.57 10.03 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 103.83 -23.26 32.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt 60.47 -75.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.642 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' GLY . 61.1 tp -100.81 131.1 46.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.06 131.69 55.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.476 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 27' ' ' THR . 57.7 ttp180 -89.84 103.34 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -91.16 129.37 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.56 127.35 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.6 t-20 -105.9 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -54.61 -32.21 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.82 -70.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -94.56 -3.82 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER 58.34 32.82 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -97.27 129.99 44.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.486 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -85.42 141.31 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -138.28 144.13 40.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.357 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' HG21 ' A' ' 61' ' ' VAL . 52.1 m-85 -122.16 136.42 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.74 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -125.14 123.79 40.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -87.47 114.88 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.547 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 30.1 t70 -83.78 -39.22 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.497 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 p -58.73 129.19 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.719 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 27.8 p -102.61 17.55 23.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.719 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.79 -17.34 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.648 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 1.7 m-85 -135.87 145.99 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.593 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.3 pm0 -91.87 136.67 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -87.98 116.82 26.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.624 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.457 ' NE2' HD12 ' A' ' 116' ' ' LEU . 25.6 m-70 -95.5 130.08 42.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.424 HG21 ' CD2' ' A' ' 50' ' ' TYR . 74.2 t -106.96 127.33 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.9 tp -143.31 92.8 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.32 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.82 133.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.6 m -108.96 138.92 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -122.18 164.2 18.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.734 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.9 t30 -85.89 155.43 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.62 -44.93 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 90.7 m-20 -76.99 69.73 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.489 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.8 m -153.89 112.37 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.14 81.78 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.44 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.3 pt -123.0 159.66 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 47.3 tttp -134.99 164.24 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -97.76 142.32 29.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.8 mt -119.69 166.89 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.51 -132.58 15.54 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -93.88 -7.53 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 110.533 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -44.38 124.21 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.506 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -85.88 130.02 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.634 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 43.0 tp -121.21 128.91 52.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -151.05 148.63 28.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -103.59 148.82 25.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -101.54 169.32 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -65.22 -37.65 87.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.725 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -57.54 -24.7 57.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.593 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.725 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 100.55 51.63 1.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.472 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.4 mt-10 -138.84 151.9 47.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.555 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -103.55 140.49 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.2 t -124.39 133.46 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.14 106.72 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.0 p -119.94 144.39 47.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -161.89 137.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.475 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.422 HG22 ' ND1' ' A' ' 60' ' ' HIS . 90.5 t -94.13 136.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.8 t -116.8 127.5 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -90.03 153.72 47.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.92 151.5 64.86 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.687 2.258 . . . . 0.0 112.123 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 32.3 m 58.41 32.73 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.442 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 99' ' ' GLU . 62.4 tt0 -149.34 155.64 40.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -138.37 118.46 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' A' ' 97' ' ' GLU . 73.3 mm-40 -115.16 163.69 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.658 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 87.5 mmm -83.78 154.41 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -117.4 -100.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.9 pp -130.9 156.78 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -132.92 -177.4 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.54 -156.0 20.22 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -96.86 144.69 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.494 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.62 137.52 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.739 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -144.6 119.31 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.33 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.39 101.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -144.04 158.63 43.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.781 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.5 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 0.4 OUTLIER -106.81 127.88 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.28 179.163 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -112.84 135.94 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -141.94 124.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.261 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -135.4 165.08 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 6.7 t70 -155.7 169.24 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.334 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -121.89 93.54 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.757 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.457 HD12 ' NE2' ' A' ' 60' ' ' HIS . 5.8 mt -90.98 151.72 43.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.483 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.471 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 61.0 Cg_endo -74.98 134.12 17.46 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.839 2.359 . . . . 0.0 112.101 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.542 HD23 ' OE1' ' A' ' 58' ' ' GLU . 13.9 mt -54.33 121.04 7.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.0 m -95.14 -163.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.52 ' O ' ' NE2' ' A' ' 124' ' ' GLN . 23.0 pt-20 -62.93 -33.13 74.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.73 -39.33 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -64.29 -40.71 96.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -59.96 -41.74 92.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.462 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.557 ' OE1' ' N ' ' A' ' 124' ' ' GLN . 1.2 mp0 -69.07 -36.9 78.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.543 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -57.27 -30.79 64.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.479 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -95.23 -27.88 15.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.78 90.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.478 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -61.71 -38.44 87.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -62.43 -26.33 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 56.7 t0 57.89 74.31 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.547 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 44.2 pttt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.527 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.34 19.3 64.71 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 p -151.25 159.5 44.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.694 0.283 . . . . 0.0 110.592 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.85 -25.36 0.08 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.85 33.94 23.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 7' ' ' SER . 56.5 p -70.5 163.24 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.582 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' SER . 41.0 m 54.61 164.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.578 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -102.97 166.02 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -143.8 177.36 8.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.1 p -68.92 159.44 32.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.632 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 m -165.15 -155.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 t -141.13 136.18 33.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -126.96 139.08 53.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.661 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -108.19 163.71 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.545 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -142.18 -52.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.3 m-20 -80.78 2.3 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.646 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.65 165.28 11.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -93.46 137.97 23.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.479 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -44.33 148.52 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -74.73 -28.18 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -94.09 141.61 28.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.55 158.19 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.71 -143.03 3.57 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -139.05 -66.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -76.84 112.68 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.622 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.35 130.87 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 t -146.48 159.47 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 44.3 pttt -97.54 134.27 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.2 -66.5 2.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -80.18 146.19 31.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.549 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -87.72 8.93 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -98.35 157.26 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 50.38 -169.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.519 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.92 -33.48 50.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.569 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 157.52 -18.42 0.37 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 33.0 mt 60.29 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.829 0.347 . . . . 0.0 110.621 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' GLY . 60.0 tp -105.34 130.59 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -110.85 129.45 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.466 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -89.06 103.28 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.3 mt -95.37 125.81 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.65 132.44 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.1 t-20 -110.1 102.07 10.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -55.51 -29.7 59.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HZ2' ' HG3' ' A' ' 45' ' ' LYS . 23.9 ttpp -53.83 -54.34 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 88.7 mttt -107.0 -2.07 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.639 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER 55.67 28.81 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 -179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -97.34 124.84 41.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.478 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -82.55 147.82 28.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.2 146.32 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.47 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.449 ' CD2' HG21 ' A' ' 61' ' ' VAL . 37.7 m-85 -124.36 139.62 53.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.749 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -127.78 128.48 45.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' ' SD ' ' A' ' 59' ' ' MET . 9.3 t-20 -94.34 124.68 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 54' ' ' THR . 30.4 p-10 -96.48 -37.78 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.557 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.3 p -59.91 118.75 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -88.42 2.42 52.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.659 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 7.7 tt0 -109.18 -43.97 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -115.49 146.08 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.639 -179.607 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.618 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 16.9 pm0 -92.16 149.05 21.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.608 ' SD ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -97.21 117.81 32.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.329 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.49 ' NE2' HD12 ' A' ' 116' ' ' LEU . 20.8 m-70 -97.33 126.65 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.359 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.449 HG21 ' CD2' ' A' ' 50' ' ' TYR . 54.8 t -102.4 130.44 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.6 tp -142.83 91.45 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.32 130.0 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -107.92 134.85 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.402 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -118.26 165.59 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.695 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 41.3 t30 -80.53 154.96 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.584 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -47.55 -49.81 25.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.563 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.7 t70 -78.33 78.81 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 39.9 m -154.3 116.19 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 105' ' ' ARG . 66.1 m-20 -77.85 81.08 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.408 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 103' ' ' GLU . 16.5 ttmt -129.48 163.44 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -103.08 131.93 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 103' ' ' GLU . 19.5 mt -109.98 169.6 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.625 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 40.8 -137.54 1.85 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.475 ' NZ ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -84.98 -2.6 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.509 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -45.11 113.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.541 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -82.57 122.5 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.503 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 56.0 tp -117.18 130.47 56.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.402 ' HG3' HE22 ' A' ' 82' ' ' GLN . 18.8 pt-20 -152.9 155.04 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.497 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -105.56 151.8 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.402 HE22 ' HG3' ' A' ' 80' ' ' GLU . 29.5 mm-40 -103.96 168.03 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -65.09 -36.41 84.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.693 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.49 -25.64 67.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.693 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 101.29 59.24 0.8 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.3 mt-10 -144.47 151.95 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.334 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -104.0 139.33 39.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.505 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 89.9 t -127.72 134.4 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.32 105.34 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.498 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -116.52 144.66 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.69 147.26 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.482 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.445 HG22 ' CE1' ' A' ' 60' ' ' HIS . 92.2 t -101.96 134.77 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.3 t -112.85 128.91 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.486 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -92.48 153.16 42.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.525 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 19.0 Cg_endo -58.73 161.17 15.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.742 2.295 . . . . 0.0 112.094 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 11.5 p 43.5 28.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.584 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 94.4 mt-10 -148.79 129.18 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -108.41 136.76 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.509 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -128.37 164.16 23.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.94 155.45 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -118.21 -103.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.718 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.64 155.74 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 72' ' ' LYS . 82.1 tt0 -133.78 158.14 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' N ' ' CG ' ' A' ' 103' ' ' GLU . . . 118.01 -160.41 13.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ASP . 61.8 ttt180 -92.58 141.58 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 110.426 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.3 t -124.08 136.99 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.73 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -148.84 117.87 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.277 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.05 99.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CD1' HG12 ' A' ' 106' ' ' VAL . 30.1 p90 -152.59 156.84 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.736 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -110.01 135.58 50.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.327 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -114.47 134.35 55.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -139.59 126.0 20.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.303 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -132.68 171.72 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.8 t0 -163.33 171.83 15.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.426 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.16 94.62 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.738 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.49 HD12 ' NE2' ' A' ' 60' ' ' HIS . 6.2 mt -92.19 152.1 42.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.456 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 59.0 Cg_endo -73.8 132.0 16.55 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.84 2.36 . . . . 0.0 112.134 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.431 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 15.7 mt -52.63 115.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.9 m -85.63 -171.01 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.679 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -62.49 -26.8 68.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.486 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 122' ' ' TYR . 20.2 pt-20 -58.26 -41.64 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.506 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 46.3 t80 -66.39 -42.17 88.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.443 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -56.22 -42.79 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.453 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -69.22 -37.49 78.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.577 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.584 ' HE2' ' CD ' ' A' ' 97' ' ' GLU . 26.0 t60 -56.03 -29.39 60.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.465 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.506 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 91.7 mt-30 -63.77 -21.36 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.62 63.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.512 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.523 ' OE2' ' CE1' ' A' ' 125' ' ' HIS . 8.9 pt-20 -67.07 -30.14 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.571 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.504 ' NZ ' ' CB ' ' A' ' 129' ' ' LYS . 8.2 mtmp? -79.85 -101.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -135.46 31.1 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.583 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.92 -178.46 52.41 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.3 m -58.17 -39.89 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.585 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.05 8.24 82.44 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.28 117.52 23.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -63.93 -30.7 71.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m -78.47 153.6 31.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.52 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -136.25 99.93 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' SER . 54.4 t30 -57.98 -38.29 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m 54.24 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' ASN . 43.0 m -64.14 170.99 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.0 t -133.52 136.32 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -124.96 127.99 47.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -100.44 166.03 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -138.07 -60.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.624 -179.097 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.588 ' N ' HG22 ' A' ' 15' ' ' VAL . 72.4 m-20 -64.16 -27.28 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.97 162.61 17.7 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -91.43 150.29 41.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.509 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.13 137.76 35.13 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -74.78 -4.62 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -128.67 138.93 52.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.55 127.17 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.601 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.95 -111.14 3.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -145.89 -60.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.556 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.17 116.81 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.71 135.97 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 172.27 13.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -119.45 98.4 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.51 -71.2 0.28 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -75.75 134.5 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -88.74 5.2 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' ASP . 20.3 tptp -102.57 150.11 23.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 35' ' ' GLY . 73.8 m-20 58.36 -162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 36' ' ' LEU . 19.5 t-20 -71.37 40.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.583 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 73.32 -21.47 1.1 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 34' ' ' ASN . 46.9 mt 60.53 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.665 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.2 tp -103.46 135.43 45.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.634 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.23 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -89.66 99.92 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.2 mt -89.57 131.7 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -133.7 127.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' A' ' 46' ' ' LYS . 3.0 t-20 -108.44 104.52 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.17 -32.43 66.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -50.18 -55.71 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 30.4 mmtp -107.12 -5.08 18.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 57.71 31.1 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.715 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -98.06 124.53 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 48' ' ' TRP . 39.8 m0 -82.1 144.8 30.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.6 145.94 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.417 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.487 ' CD1' HD21 ' A' ' 37' ' ' LEU . 68.9 m-85 -122.68 138.18 54.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.716 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' HD12 ' A' ' 37' ' ' LEU . 56.8 t80 -122.5 128.94 51.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.462 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -95.7 120.29 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.632 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 20.3 p-10 -86.91 -37.43 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.503 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 36.1 p -57.31 165.41 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.8 p -128.69 7.02 5.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' CG ' ' CE2' ' A' ' 57' ' ' TYR . 9.3 pt20 -139.95 2.77 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE2' ' CG ' ' A' ' 56' ' ' GLN . 80.8 m-85 -126.18 130.8 51.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 6.6 pt-20 -91.68 133.68 35.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.496 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.24 123.74 35.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.736 -178.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.437 ' ND1' HG22 ' A' ' 92' ' ' VAL . 41.9 m-70 -109.75 118.17 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -98.86 132.2 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.75 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.0 tp -142.43 93.13 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.334 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.94 135.24 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -108.25 140.88 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.32 166.33 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.7 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.486 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.7 t30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.8 -51.62 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 86.3 m-20 -78.85 79.19 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.588 ' SG ' ' ND2' ' A' ' 107' ' ' ASN . 39.1 m -153.96 114.52 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ARG . 46.9 t0 -76.73 81.55 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -122.54 156.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 103' ' ' GLU . 15.1 ttmt -130.55 162.83 28.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -101.93 132.75 47.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.61 172.22 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.18 -138.57 1.8 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.8 5.93 47.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.51 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -49.75 121.06 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -79.97 126.48 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 49.4 tp -121.98 129.16 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -153.01 148.0 26.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -102.52 150.9 22.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -104.99 169.04 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -64.79 -38.01 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.709 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.93 -24.57 53.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.709 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.98 52.91 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.446 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.3 mt-10 -140.43 151.0 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.57 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -104.27 132.89 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.507 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.495 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.3 t -113.85 135.76 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.72 110.42 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.6 p -124.5 145.42 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.8 142.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.49 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.437 HG22 ' ND1' ' A' ' 60' ' ' HIS . 33.6 t -101.14 134.45 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.77 130.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.45 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.63 151.9 41.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.536 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.07 152.51 79.18 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.811 2.34 . . . . 0.0 112.038 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.6 t 61.0 28.04 17.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -156.02 156.06 33.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 m -128.29 137.76 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -128.49 158.37 38.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mmm -87.2 155.1 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.585 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 17.8 t80 -116.38 -103.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 101' ' ' PHE . 2.4 pp -122.07 161.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' LYS . 86.4 tt0 -141.83 154.64 45.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.7 -156.51 16.57 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ASP . 37.6 ttm180 -96.6 141.65 29.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 110.523 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.436 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 3.2 t -128.18 137.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.801 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.588 ' ND2' ' SG ' ' A' ' 69' ' ' CYS . 8.8 p30 -137.37 122.27 18.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 43.47 96.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.73 156.44 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.767 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -108.54 129.26 55.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.275 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -110.91 135.53 51.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -137.17 125.87 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.246 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -133.33 167.25 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.972 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 37.1 t0 -153.31 172.31 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.517 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.97 88.98 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.729 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 60' ' ' HIS . 2.2 mt -95.84 157.14 36.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.488 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.431 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 74.1 Cg_endo -78.19 139.79 17.13 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.899 2.399 . . . . 0.0 112.131 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 122' ' ' TYR . 29.0 mt -41.35 102.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.445 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 171.14 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.98 -30.09 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.396 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -59.39 -36.14 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.467 ' CE2' HD13 ' A' ' 118' ' ' LEU . 62.2 t80 -56.84 -46.5 81.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -60.77 -46.0 92.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.452 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -63.8 -35.71 81.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.92 ' CE1' ' HZ3' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -57.19 -41.74 79.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 179.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 130' ' ' ASP . 94.1 mt-30 -49.64 -18.58 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.557 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.31 69.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.437 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.514 ' OE1' ' ND1' ' A' ' 125' ' ' HIS . 7.9 pt-20 -73.73 -41.9 61.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.485 -178.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.92 ' HZ3' ' CE1' ' A' ' 125' ' ' HIS . 0.6 OUTLIER -89.46 -35.59 15.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.61 -179.52 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 126' ' ' GLN . 78.2 m-20 -106.2 154.31 20.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.621 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.581 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 ttp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.09 151.69 50.35 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -57.64 -36.41 71.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.12 71.35 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' GLU . . . 48.41 36.0 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -57.2 -32.81 66.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.513 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.1 m -56.22 -36.22 68.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 5' ' ' ALA . 84.7 tt0 -137.62 129.12 28.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -167.97 153.96 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.567 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.4 p -61.62 -28.42 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t 71.06 16.1 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 t -146.28 136.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.565 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.481 ' C ' HD21 ' A' ' 34' ' ' ASN . 4.2 m -129.18 143.08 50.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.667 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -115.93 164.39 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.44 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -145.18 -51.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 -179.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.551 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 80.4 m-20 -80.82 0.76 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.3 160.36 10.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' H ' ' HE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -95.37 144.74 28.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.56 149.95 45.67 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.778 2.319 . . . . 0.0 112.198 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -82.68 -16.96 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 80.1 t80 -111.35 147.51 34.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.784 HG22 ' H ' ' A' ' 23' ' ' GLY . 10.6 p -134.05 176.78 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.784 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -160.18 -109.55 0.25 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -150.91 -60.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.603 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -89.58 110.45 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.6 135.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -135.94 171.34 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' NZ ' ' OE1' ' A' ' 31' ' ' GLU . 11.9 pttp -117.06 96.18 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -38.89 -66.9 0.61 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -81.39 118.79 22.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 0.0 110.61 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 78.0 mm-40 -68.94 -31.68 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.0 158.3 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 55.06 -172.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.454 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.481 HD21 ' C ' ' A' ' 13' ' ' THR . 64.9 t-20 -54.46 -35.56 63.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.52 -23.14 0.35 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt 60.78 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.339 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.5 tp -113.13 127.76 56.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -109.67 125.36 52.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.533 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -79.57 127.74 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.5 mt -113.21 129.49 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.476 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.405 HG13 ' CD1' ' A' ' 48' ' ' TRP . 38.7 t -133.42 127.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.7 t-20 -108.76 101.91 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -53.71 -31.88 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.626 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HE2' HD21 ' A' ' 42' ' ' ASN . 45.2 mtmt -52.88 -66.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.604 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 57.1 mmtt -94.44 -11.09 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 63.34 30.8 15.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 -179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -96.77 127.51 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.405 ' CD1' HG13 ' A' ' 41' ' ' VAL . 38.3 m0 -88.65 145.23 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.37 32.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -122.35 139.17 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.775 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.597 ' O ' HD12 ' A' ' 37' ' ' LEU . 36.3 t80 -123.64 121.18 34.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -86.06 115.43 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.668 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.551 ' OD2' ' ND2' ' A' ' 16' ' ' ASN . 25.5 t70 -88.73 -37.85 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.461 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 p -58.59 125.39 23.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.702 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 33.1 p -99.81 16.79 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.702 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -130.02 -15.62 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -134.3 148.59 50.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -93.22 144.01 25.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.98 125.81 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.698 -179.188 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -112.61 125.7 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.2 t -109.16 132.1 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.819 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' NZ ' ' A' ' 112' ' ' LYS . 23.3 tp -144.09 92.77 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.317 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 65' ' ' PHE . 31.1 t -112.14 132.71 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.749 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -105.2 141.08 37.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.337 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CZ ' ' CG1' ' A' ' 63' ' ' VAL . 19.4 m-85 -126.93 163.5 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.474 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 35.8 t30 -89.93 152.39 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.561 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -43.07 -45.46 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 61.7 t0 -68.98 81.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 25.2 p -164.73 138.08 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.57 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -100.55 51.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 pt -100.17 157.49 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.619 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.22 -170.33 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -111.16 139.77 46.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 75' ' ' GLY . 86.2 mt -100.95 -100.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -59.67 -140.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.83 -3.93 25.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 110.465 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -45.28 116.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -77.89 123.16 26.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 57.1 tp -117.32 130.97 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -156.0 147.59 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -103.14 150.71 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.632 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -107.88 170.94 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.542 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.82 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.724 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.79 -24.62 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.724 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 99.3 44.23 2.4 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.446 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.6 mt-10 -131.01 153.19 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.336 . . . . 0.0 110.578 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -105.36 132.0 52.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.482 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.0 t -108.46 128.62 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.99 101.88 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.6 p -119.46 144.23 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.644 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -162.21 142.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.444 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.33 132.95 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 t -114.72 130.72 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -90.87 156.37 44.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.456 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.49 153.06 69.03 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.723 2.282 . . . . 0.0 112.098 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.6 m 61.46 19.65 10.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.551 ' OE2' ' NE2' ' A' ' 125' ' ' HIS . 94.1 mt-10 -143.45 146.89 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -126.64 125.42 41.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -118.85 155.84 30.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.4 mtp -80.85 154.29 27.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -112.98 -95.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.533 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.3 pp -133.63 163.9 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.585 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.3 tt0 -142.75 156.15 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.54 -154.98 18.75 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -96.93 135.27 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.11 136.11 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.743 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 107' ' ' ASN . 2.6 p-10 -147.02 116.98 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.351 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 54.65 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -155.55 161.73 40.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -115.27 132.54 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.352 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -115.23 134.21 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' NZ ' HD23 ' A' ' 62' ' ' LEU . 18.0 ttpp -134.94 110.49 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 178.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.0 mtm -118.21 162.05 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.075 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.7 t0 -154.86 173.43 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.349 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.473 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -126.07 88.43 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.64 151.15 47.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.6 139.46 37.36 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.813 2.342 . . . . 0.0 112.138 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CE2' ' A' ' 122' ' ' TYR . 58.1 mt -45.7 98.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.48 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.0 m -65.08 169.25 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.02 -28.48 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.4 -35.56 76.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.476 ' CE2' HD13 ' A' ' 118' ' ' LEU . 56.4 t80 -59.38 -41.78 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.429 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -58.8 -40.69 84.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.426 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.47 -36.83 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.551 ' NE2' ' OE2' ' A' ' 97' ' ' GLU . 21.6 t60 -58.88 -21.6 57.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -75.56 -26.96 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 130' ' ' ASP . . . -81.06 -57.31 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.517 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -46.76 -38.59 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.504 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -86.83 -6.74 58.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 127' ' ' ALA . 85.6 m-20 55.1 45.66 25.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.408 ' OXT' ' O ' ' A' ' 130' ' ' ASP . 80.8 tttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 mmt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . 80.07 26.86 54.59 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m 54.99 6.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 2' ' ' GLY . . . -169.67 117.92 0.74 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.14 143.77 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 t -58.85 -34.01 71.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -102.94 143.6 32.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -145.08 158.9 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -79.27 170.63 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -148.4 161.63 41.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 t -151.28 172.46 15.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.15 137.6 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.468 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 m -131.25 129.85 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.658 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -108.98 168.81 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.498 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -135.46 -57.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 82.5 m-20 -67.32 -27.61 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.79 170.32 28.54 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -89.36 149.26 42.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.48 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.28 135.92 23.39 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.808 2.339 . . . . 0.0 112.17 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 m -65.69 -32.02 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.491 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.6 138.65 42.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.16 133.84 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.52 -116.89 3.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -136.91 -61.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.586 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.63 128.01 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.72 137.82 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -133.45 171.38 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.409 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.0 95.45 5.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.41 -66.68 0.91 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -80.7 127.41 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -74.52 -18.33 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -76.7 156.64 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 53.72 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -54.03 -35.53 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 158.36 -19.48 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt 61.22 -78.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.65 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 51' ' ' TYR . 12.9 tp -106.98 131.51 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -109.01 125.18 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -81.02 101.72 9.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -89.73 130.52 38.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 48' ' ' TRP . 57.3 t -136.08 128.36 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.597 ' O ' ' N ' ' A' ' 46' ' ' LYS . 2.9 t-20 -105.18 102.13 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -53.27 -32.26 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.68 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -52.49 -68.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' O ' ' OE2' ' A' ' 103' ' ' GLU . 65.1 mmtt -93.82 -6.47 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 58.65 32.85 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.2 pt20 -96.65 121.39 38.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.471 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.41 ' CD1' HG13 ' A' ' 41' ' ' VAL . 35.3 m0 -82.1 145.64 30.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.89 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.463 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CD1' HD21 ' A' ' 37' ' ' LEU . 62.1 m-85 -126.29 138.1 53.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.771 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.52 ' O ' HD12 ' A' ' 37' ' ' LEU . 35.5 t80 -120.05 116.82 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.481 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -84.92 124.22 31.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.554 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 16.0 p-10 -103.82 -36.54 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.524 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 10.5 p -60.72 115.51 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.3 p -85.68 -4.91 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 63.2 tt0 -100.26 -43.97 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.462 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 1.2 m-85 -114.49 146.72 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.624 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 13.7 pm0 -91.55 146.73 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.447 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -91.11 119.57 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.727 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.491 ' NE2' HD12 ' A' ' 116' ' ' LEU . 28.4 m-70 -103.02 123.03 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.373 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' A' ' 50' ' ' TYR . 49.4 t -103.74 127.05 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.7 tp -142.3 91.55 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.375 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -114.83 132.43 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.808 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -109.63 135.68 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.393 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -119.07 161.09 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.734 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 37.0 t30 -84.15 160.52 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.585 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.72 -45.68 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.585 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 59.5 t0 -73.11 67.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 24.3 m -154.28 107.25 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.05 78.55 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.504 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.43 162.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.22 -170.77 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -111.62 139.82 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.529 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' GLY . 94.3 mt -100.04 -97.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.601 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.99 -140.42 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -2.31 26.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.533 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -47.41 120.47 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -82.5 121.47 26.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 44.1 tp -113.84 129.66 56.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -151.97 148.07 27.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -104.51 150.14 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -103.5 169.18 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -65.05 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.721 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -56.85 -24.52 52.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.721 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 100.11 51.6 1.24 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.7 mt-10 -139.31 151.23 46.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.57 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -104.65 141.9 35.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.8 t -126.83 135.4 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.596 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 106.35 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.1 p -117.29 143.02 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -162.32 141.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.491 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.96 134.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -114.34 129.73 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -93.34 151.94 40.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.33 152.49 66.56 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.732 2.288 . . . . 0.0 112.077 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.9 m 65.05 8.68 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.541 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -136.89 143.42 42.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.8 m -124.38 136.94 54.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -130.96 159.07 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.9 mmm -83.62 150.99 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -106.41 -101.14 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.743 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -129.53 161.95 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.619 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 45' ' ' LYS . 84.8 tt0 -137.22 157.07 47.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.69 -163.61 15.07 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -88.77 140.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.707 0.289 . . . . 0.0 110.523 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.22 135.65 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 6.3 p-10 -147.29 118.35 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.354 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 53.62 102.93 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -148.89 159.09 44.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.787 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -106.8 129.5 54.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.377 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.8 m -117.39 133.33 56.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -137.93 123.15 19.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.231 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 78.1 mtm -129.36 163.85 24.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.953 0.406 . . . . 0.0 110.983 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 32.3 t0 -156.07 170.43 22.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -124.06 93.25 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.771 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.491 HD12 ' NE2' ' A' ' 60' ' ' HIS . 5.5 mt -90.1 151.36 44.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 60.4 Cg_endo -74.73 131.22 14.37 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.774 2.316 . . . . 0.0 112.154 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.468 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 14.9 mt -52.33 105.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.8 m -81.71 -177.8 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -54.73 -28.85 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.469 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -38.6 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.465 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.608 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 31.9 t80 -64.24 -40.88 96.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.366 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.447 ' HA ' HE21 ' A' ' 126' ' ' GLN . 41.3 mmm-85 -55.86 -39.83 72.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.405 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -64.0 -37.1 86.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 51.8 t60 -64.28 -16.48 62.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.486 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.608 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 44.6 mt-30 -89.72 -30.3 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.538 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.85 86.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.488 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.39 -38.81 88.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.566 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.402 ' HZ2' ' HB3' ' A' ' 129' ' ' LYS . 15.1 mtpp -63.37 -33.09 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.516 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -70.88 146.84 49.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.604 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.43 -118.04 11.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m 64.39 4.7 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.566 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.6 141.17 47.6 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 43.69 -127.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.725 0.298 . . . . 0.0 110.598 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -61.4 153.61 26.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.4 p -159.06 -21.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.522 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 43.19 -109.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 9' ' ' ASN . 25.6 p30 -136.1 141.9 44.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 11' ' ' SER . 20.8 t -62.46 -33.87 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.598 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 10' ' ' SER . 38.3 m 49.86 179.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 t -140.32 137.96 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.465 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -130.16 134.13 47.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.66 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -114.85 171.07 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.458 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.561 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.51 -58.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.658 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.561 ' N ' HG22 ' A' ' 15' ' ' VAL . 68.7 m-80 -64.05 -28.39 69.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 -178.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.1 170.65 30.34 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -91.72 149.74 39.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.04 136.41 24.74 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.843 2.362 . . . . 0.0 112.166 179.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -74.22 -11.83 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.522 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' HD13 ' A' ' 40' ' ' ILE . 65.5 t80 -124.58 129.23 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.57 125.82 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.53 -107.38 3.21 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -143.81 -56.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -90.25 120.91 31.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.576 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -122.55 140.29 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -136.17 172.58 12.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -127.41 96.92 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -37.35 -69.1 0.32 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.34 129.74 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.615 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.64 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 10.7 pm0 -81.54 -5.56 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.622 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -89.93 154.44 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' CB ' HD21 ' A' ' 36' ' ' LEU . 64.0 m-20 59.02 -158.84 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.524 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 36' ' ' LEU . 21.2 m120 -81.28 41.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 75.05 -32.15 1.09 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.597 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 34' ' ' ASN . 24.5 mt 61.99 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' GLY . 50.1 tp -99.25 128.92 45.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.646 -179.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -112.67 136.87 51.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -99.31 101.31 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.444 HD13 ' O ' ' A' ' 21' ' ' PHE . 13.1 mt -92.33 130.45 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.526 -179.497 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.2 t -131.5 127.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.8 t-20 -107.53 105.62 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.483 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.16 -27.8 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.635 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' HZ1' ' HG2' ' A' ' 45' ' ' LYS . 25.5 ttpp -51.74 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.689 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' ' HZ1' ' A' ' 44' ' ' LYS . 64.5 mmtt -106.35 0.2 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.62 179.271 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.5 mmtm 56.16 32.34 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.4 pt20 -96.21 127.23 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.431 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 33.6 m0 -86.19 142.63 28.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB2' ' CE ' ' A' ' 100' ' ' MET . . . -140.31 147.64 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.433 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.99 135.86 53.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -118.09 121.3 40.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.2 t-20 -91.32 134.12 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.667 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 54' ' ' THR . 24.2 p-10 -108.53 -38.02 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.429 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.533 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 9.1 p -58.53 118.82 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.5 p -88.03 -9.98 51.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.658 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' CD ' ' CZ ' ' A' ' 57' ' ' TYR . 62.6 tt0 -94.41 -45.17 7.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' CZ ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -113.56 151.15 32.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.672 -179.57 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.22 150.47 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.471 178.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.95 119.8 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.43 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.408 ' ND1' HG22 ' A' ' 92' ' ' VAL . 44.5 m-70 -103.74 128.52 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.37 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.9 t -108.02 130.03 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 tp -142.2 92.64 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.2 t -115.85 132.84 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.4 m -110.59 135.38 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.336 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -118.59 156.28 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 -179.875 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.1 t30 -79.86 159.23 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -48.91 -41.15 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.566 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 21.8 t70 -79.79 70.4 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 26.8 m -154.21 113.4 3.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.78 78.2 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.424 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -120.4 156.39 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -137.88 160.49 39.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.597 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -89.83 138.81 31.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.507 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' A' ' 75' ' ' GLY . 87.1 mt -103.94 -98.59 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.212 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -57.09 -148.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -69.21 -2.89 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 0.0 110.472 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -46.36 117.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 -179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.11 123.65 27.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 88' ' ' VAL . 43.8 tp -117.54 129.89 56.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.402 ' HG3' HE22 ' A' ' 82' ' ' GLN . 10.1 pt-20 -152.71 154.21 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.573 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -107.88 150.71 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.402 HE22 ' HG3' ' A' ' 80' ' ' GLU . 17.3 mm-40 -103.98 168.93 8.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -37.06 86.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.679 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.49 -24.83 61.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.638 -179.736 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.679 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 100.11 54.43 1.03 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.3 mt-10 -141.02 152.55 44.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 110.634 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -105.71 139.64 39.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 79' ' ' LEU . 94.5 t -124.76 137.52 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.31 105.63 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -117.86 144.09 45.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.657 -178.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.35 143.29 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.479 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' ND1' ' A' ' 60' ' ' HIS . 47.7 t -99.53 137.25 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.22 130.93 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -90.63 160.36 39.01 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.513 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.52 158.3 57.76 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.779 2.319 . . . . 0.0 112.117 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.3 t 55.87 13.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -135.97 151.14 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 m -129.24 135.04 48.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -129.06 163.29 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -86.52 155.24 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.926 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -114.48 -96.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.057 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.725 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -135.79 159.35 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -133.78 157.95 44.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 122.68 -161.44 16.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -94.77 139.34 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.44 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.431 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 2.6 t -122.62 135.3 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 5.4 p-10 -144.74 118.96 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.347 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 50.61 100.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.412 ' CD1' HG12 ' A' ' 106' ' ' VAL . 29.5 p90 -146.15 159.58 43.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.178 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -106.03 128.03 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.338 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -112.46 135.11 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -141.56 124.94 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.172 178.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -134.35 169.25 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.954 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 42.5 t0 -165.39 172.94 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.344 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.13 89.49 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.11 151.25 42.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.491 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.09 161.72 0.96 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.836 2.357 . . . . 0.0 112.155 178.043 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.98 108.33 16.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.2 m -67.17 170.0 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -54.45 -29.11 48.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -54.85 -38.69 67.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.497 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.424 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 37.9 t80 -63.04 -41.78 99.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.412 179.705 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -57.13 -41.76 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.449 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.66 -38.04 73.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.626 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -55.0 -28.01 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.539 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.424 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 91.5 mt-30 -62.53 -27.23 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.609 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.95 -60.3 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -68.23 -21.4 64.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.521 ' NZ ' ' OXT' ' A' ' 131' ' ' LYS . 13.1 ttpp -49.54 -37.66 27.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 55.5 t0 52.56 92.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.521 ' OXT' ' NZ ' ' A' ' 129' ' ' LYS . 12.1 ttmm . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.635 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.38 15.57 68.6 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.5 t -85.6 111.03 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.98 -169.07 45.55 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 -12.45 32.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 7' ' ' SER . 1.3 m 68.77 102.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' SER . 28.8 t 51.8 172.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -159.79 67.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -58.43 -38.39 77.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t -149.63 150.59 32.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -146.73 18.96 1.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -145.78 135.56 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.601 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.414 ' HB ' HD21 ' A' ' 34' ' ' ASN . 4.0 m -127.34 144.06 51.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.721 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -114.86 161.68 17.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.08 -51.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.221 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 78.6 m-20 -81.8 2.83 28.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -178.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.15 162.96 11.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -91.92 139.21 24.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.476 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.85 142.75 4.89 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.818 2.345 . . . . 0.0 112.191 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -73.24 -30.0 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 179.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 22' ' ' VAL . 89.4 t80 -94.15 141.27 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -109.62 160.55 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.86 -133.97 1.59 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -136.68 -71.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.609 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -82.35 128.03 33.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.37 134.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -138.98 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.08 139.86 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -71.86 1.1 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -83.29 124.11 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.643 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.36 -26.7 63.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -59.67 154.54 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 34' ' ' ASN . 35.2 t0 62.83 -145.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' H ' ' CG ' ' A' ' 33' ' ' ASP . 11.0 t-20 -93.83 6.23 49.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 118.14 -20.53 10.53 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 28.2 mt 58.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.8 tp -106.37 129.19 54.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -107.38 123.74 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.531 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.0 ttp180 -80.54 122.78 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -109.52 130.85 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.516 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.32 129.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -105.13 100.93 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.544 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -52.67 -25.84 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.701 -179.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HZ2' ' HZ2' ' A' ' 45' ' ' LYS . 22.3 ttpp -56.51 -66.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.623 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HZ2' ' HZ2' ' A' ' 44' ' ' LYS . 34.6 mmtm -102.14 -1.6 31.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.596 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 42' ' ' ASN . 6.9 mmmt 55.53 38.44 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.705 -179.601 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 2.3 pt20 -97.3 124.81 41.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.455 179.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.426 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 40.1 m0 -81.08 142.7 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.11 34.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.41 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.479 ' CD2' HG21 ' A' ' 61' ' ' VAL . 70.2 m-85 -124.44 134.07 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -179.621 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . 51.8 t80 -120.12 125.78 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 179.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 51.0 t-20 -91.07 130.04 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.265 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.555 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 26.6 p-10 -101.53 -37.97 8.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.542 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 11.9 p -58.21 118.3 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.475 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 71.9 p -90.68 11.49 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -125.42 -14.61 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.655 -179.871 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 3.3 m-85 -136.78 142.35 42.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.649 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 12.6 pm0 -91.95 149.31 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.617 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -97.68 121.84 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.714 -179.573 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' NE2' HD12 ' A' ' 116' ' ' LEU . 23.1 m-70 -103.05 126.15 50.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 50' ' ' TYR . 54.2 t -106.36 128.14 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -142.55 91.69 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.314 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.9 t -114.58 131.58 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -110.01 133.57 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -116.91 163.9 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.507 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t30 -81.86 154.83 25.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -47.18 -49.34 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.2 t0 -75.6 73.39 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 36.8 m -154.33 115.92 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ARG . 16.3 t70 -78.18 80.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.465 -179.694 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.1 pt -122.81 156.26 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.556 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' GLU . 45.3 mtpt -128.95 166.92 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -104.79 135.93 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 mt -113.23 173.45 6.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.93 -139.17 2.17 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.01 4.26 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -50.77 122.52 7.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -81.98 129.25 34.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 45.0 tp -124.3 128.57 49.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -147.92 157.7 43.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -98.52 151.0 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.424 ' HB2' ' ND2' ' A' ' 84' ' ' ASN . 73.3 mm-40 -96.96 175.03 6.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -74.59 -36.16 63.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.553 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.649 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -77.76 0.73 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.314 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.649 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 83.63 68.36 1.42 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.2 mt-10 -144.74 156.21 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.607 178.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -111.15 136.93 49.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.506 ' O ' HD12 ' A' ' 79' ' ' LEU . 92.6 t -127.64 137.19 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.64 109.53 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.511 179.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.1 p -119.47 141.83 48.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.65 139.21 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.512 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.426 HG22 ' ND1' ' A' ' 60' ' ' HIS . 84.8 t -95.34 135.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.72 135.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.437 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -99.22 152.62 37.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.57 145.0 99.58 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 0.0 111.982 -178.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 6.9 m 62.07 23.24 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' CD ' ' HE2' ' A' ' 125' ' ' HIS . 93.2 mt-10 -144.04 125.35 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -106.31 126.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.502 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -119.63 160.21 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.0 mmm -83.98 153.77 23.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.66 -103.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.538 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.717 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -124.66 156.1 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.566 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 6.0 tm-20 -135.53 158.15 45.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.09 -158.84 14.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASP . 72.6 ttt-85 -92.99 140.65 29.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.5 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.493 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.2 t -124.77 136.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -149.18 116.49 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.55 100.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.493 ' CD1' HG12 ' A' ' 106' ' ' VAL . 24.2 p90 -153.06 158.44 41.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.761 -179.448 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -108.98 134.08 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -116.15 134.23 55.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -178.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -137.0 124.64 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.206 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 76.9 mtm -131.53 169.31 16.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.989 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 35.4 t0 -164.9 170.65 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.304 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -128.74 91.49 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.756 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD12 ' NE2' ' A' ' 60' ' ' HIS . 22.1 mt -87.31 166.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.512 -179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' OE2' ' A' ' 58' ' ' GLU . 3.0 Cg_exo -83.6 134.18 6.41 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.783 2.322 . . . . 0.0 112.049 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.431 HD22 ' CG ' ' A' ' 122' ' ' TYR . 15.6 mt -55.4 121.19 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.411 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -94.48 -162.09 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -64.87 -30.86 71.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.92 -53.4 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.431 ' CG ' HD22 ' A' ' 118' ' ' LEU . 43.1 t80 -56.13 -43.74 78.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -58.28 -44.03 88.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -71.56 -38.28 70.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.622 ' CE1' ' NZ ' ' A' ' 129' ' ' LYS . 24.5 t60 -51.43 -50.54 59.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -65.46 -35.73 81.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.531 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.494 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.22 -30.19 70.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.622 ' NZ ' ' CE1' ' A' ' 125' ' ' HIS . 32.7 mttp -78.73 -3.32 43.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.581 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 55.55 44.95 25.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 58.4 tttp . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.566 -179.935 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.33 147.94 44.88 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 5' ' ' ALA . 19.8 t -61.55 -33.31 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.706 0.289 . . . . 0.0 110.559 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 33.79 0.89 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 3' ' ' CYS . . . -62.47 -30.53 71.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.532 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -117.38 148.04 42.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 t -91.43 145.97 24.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.52 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 2.6 pm0 -103.25 162.43 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' OD1' ' OG ' ' A' ' 11' ' ' SER . 47.9 p-10 -79.93 152.77 29.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.1 p -62.66 -27.14 69.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.587 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.434 ' OG ' ' OD1' ' A' ' 9' ' ' ASN . 48.8 m 46.76 -169.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 t -134.19 143.11 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -132.21 149.72 52.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -130.98 170.8 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -140.1 -57.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.596 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 81.7 m-20 -66.35 -27.75 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.657 -179.007 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.23 170.71 29.53 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -91.47 149.54 39.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.545 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -70.98 133.66 23.79 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.82 2.346 . . . . 0.0 112.226 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p -71.25 -16.43 62.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.6 145.6 45.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.783 HG22 ' H ' ' A' ' 23' ' ' GLY . 7.5 p -137.6 176.17 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.783 ' H ' HG22 ' A' ' 22' ' ' VAL . . . -160.8 -109.46 0.25 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -149.4 -61.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -88.84 110.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.2 t -109.94 138.21 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -138.54 166.16 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -121.47 107.87 12.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.25 -70.01 0.52 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -87.13 121.63 29.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.622 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.52 -27.04 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.593 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -68.85 161.95 27.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.516 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.524 ' CB ' HD21 ' A' ' 36' ' ' LEU . 69.4 m-20 58.47 -161.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.445 HD22 ' CG1' ' A' ' 15' ' ' VAL . 43.2 p-10 -79.56 18.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 101.69 -26.52 24.16 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 33' ' ' ASP . 22.4 mt 62.54 -68.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.0 tp -122.31 133.42 54.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.18 130.71 54.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.3 ttp180 -88.86 109.48 20.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.612 179.485 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -97.84 134.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.522 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 48' ' ' TRP . 43.5 t -137.23 123.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 46' ' ' LYS . 8.0 t-20 -104.88 103.79 13.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -56.37 -31.67 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.683 -179.47 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -52.83 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -95.13 -2.4 50.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.3 mmtp 54.79 33.81 20.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.706 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -101.02 127.59 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ2' HG21 ' A' ' 106' ' ' VAL . 34.0 m0 -87.23 143.94 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.74 154.01 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' HD21 ' A' ' 37' ' ' LEU . 50.6 m-85 -129.38 141.39 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.731 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.571 ' O ' HD12 ' A' ' 37' ' ' LEU . 48.0 t80 -124.47 125.31 44.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -99.3 127.51 45.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.561 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 2.4 p30 -102.8 -33.31 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.537 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 8.9 p -57.22 118.2 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.501 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 69.7 p -97.06 18.19 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.602 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -128.93 -16.1 4.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.669 179.798 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.5 149.99 49.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.46 145.28 24.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 178.808 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -93.05 124.55 37.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.076 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -112.67 123.24 49.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.395 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.9 t -107.1 131.97 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.756 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.74 92.71 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -113.73 134.11 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -109.28 134.59 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.34 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 1.6 m-85 -117.54 163.29 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.777 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 32.4 t30 -84.81 153.1 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -47.51 -44.97 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 89.4 m-20 -78.13 71.24 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.55 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 34.8 m -153.86 116.08 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' ARG . 47.8 t0 -76.81 80.42 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 pt -123.26 158.33 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.557 -179.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -142.75 161.27 38.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -91.56 141.66 28.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.537 HD21 ' CD ' ' A' ' 103' ' ' GLU . 96.2 mt -102.52 -98.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.399 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 74' ' ' LEU . . . -58.73 -146.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -1.84 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.539 -179.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.7 m -45.96 114.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -77.14 118.41 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 59.7 tp -113.68 127.85 56.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -151.67 148.63 28.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.51 147.28 26.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -98.82 171.7 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 84' ' ' ASN . 3.1 pp20? -68.78 -32.98 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.714 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -61.87 -25.2 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.714 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 102.24 51.82 1.04 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HB2' HD21 ' A' ' 84' ' ' ASN . 97.1 mt-10 -141.19 153.0 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.655 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -104.94 142.25 35.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.427 ' O ' HD12 ' A' ' 79' ' ' LEU . 85.6 t -126.73 134.36 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.32 105.39 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.11 141.78 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.38 143.93 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 179.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -104.67 132.14 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.5 128.92 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -89.16 158.7 46.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.56 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.535 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 26.0 Cg_exo -62.02 167.85 9.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.813 2.342 . . . . 0.0 112.031 -179.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 95' ' ' PRO . 14.3 p 41.56 21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 95' ' ' PRO . 67.4 mm-40 -138.74 150.17 45.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -129.27 137.69 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.47 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -133.53 159.6 39.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.8 mmm -83.95 151.23 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.585 179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CG ' HG23 ' A' ' 102' ' ' ILE . 17.1 t80 -110.36 -101.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.744 ' C ' HD12 ' A' ' 102' ' ' ILE . 1.8 pp -130.62 160.98 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.137 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.537 ' CD ' HD21 ' A' ' 74' ' ' LEU . 22.7 pt-20 -132.36 -178.33 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.41 -161.29 20.57 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 36.6 ttm180 -95.76 142.4 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.45 HG21 ' CZ2' ' A' ' 48' ' ' TRP . 2.9 t -124.83 135.44 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -147.15 118.67 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 56.37 102.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -153.73 155.35 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.776 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -106.12 131.62 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.0 m -113.14 136.54 52.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -142.89 122.59 13.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.31 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 113' ' ' MET . 3.8 mpp? -130.28 172.95 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 110.957 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 40.2 t0 -160.82 172.81 16.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.288 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.406 ' N ' ' OD1' ' A' ' 114' ' ' ASP . . . -125.93 87.9 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.716 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 mt -88.72 151.65 47.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.09 139.17 35.1 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.809 2.339 . . . . 0.0 112.116 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD13 ' CE2' ' A' ' 122' ' ' TYR . 63.6 mt -46.41 104.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.2 m -73.99 -175.71 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.564 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -59.56 -31.55 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -57.25 -37.76 72.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.464 ' CE2' HD13 ' A' ' 118' ' ' LEU . 54.7 t80 -60.98 -40.95 95.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -58.29 -41.95 85.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.26 -37.63 78.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -56.01 -33.85 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.577 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -92.39 -29.82 16.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 130' ' ' ASP . . . -64.94 -38.21 90.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 128' ' ' GLU . 1.6 pp20? -65.4 -35.51 81.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.52 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 131' ' ' LYS . 9.6 mtpm? -61.14 -27.67 68.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.524 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 127' ' ' ALA . 89.4 m-20 51.03 -87.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 129' ' ' LYS . 35.4 mmtm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.571 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' C ' ' SD ' ' A' ' 1' ' ' MET . 7.4 tmm? . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . 84.01 -164.8 41.01 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -68.84 7.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 2' ' ' GLY . . . 83.15 23.75 53.99 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.91 69.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 0.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 56.27 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -67.85 162.1 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -141.78 161.52 37.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -79.81 157.26 27.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.9 p -134.64 154.87 51.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -96.29 -140.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.598 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.8 139.81 50.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 t -136.79 147.91 46.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -131.84 165.83 22.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.373 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.622 HG22 ' N ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.9 -62.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.179 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.622 ' N ' HG22 ' A' ' 15' ' ' VAL . 76.3 m-20 -60.9 -29.21 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.654 -179.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 51' ' ' TYR . . . 169.05 165.17 25.99 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' N ' ' NE ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -94.19 154.41 40.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.512 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.83 132.21 12.86 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.863 2.375 . . . . 0.0 112.215 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m -65.6 -30.61 71.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.54 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.472 ' O ' HD13 ' A' ' 40' ' ' ILE . 68.6 t80 -109.27 136.41 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.78 125.19 40.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.624 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.14 -111.93 3.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 24' ' ' GLU . 1.1 pp20? -143.82 -38.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.635 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -102.27 126.7 49.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -133.91 131.01 56.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.7 t -148.37 144.25 27.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 179.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 17.3 pttp -87.89 132.73 34.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -68.08 1.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -88.77 127.41 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.336 . . . . 0.0 110.689 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.03 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -64.8 143.34 58.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.44 ' CB ' HD21 ' A' ' 36' ' ' LEU . 3.0 m-20 70.22 179.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 35' ' ' GLY . 16.0 p30 -51.65 -32.36 29.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.599 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . 153.89 -18.34 0.65 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 17.7 mt 62.76 -66.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.583 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 51' ' ' TYR . 14.2 tp -130.37 133.87 46.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.03 135.41 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.496 179.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -88.86 103.93 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 21' ' ' PHE . 14.5 mt -94.72 120.64 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 48' ' ' TRP . 48.7 t -128.59 130.57 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 -179.168 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' LYS . 4.0 t-20 -111.09 101.61 10.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -53.99 -33.24 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.724 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -49.93 -68.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.672 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -92.1 -3.55 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ASN . 3.2 mmtp 55.46 32.42 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -100.67 127.53 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CD1' HG13 ' A' ' 41' ' ' VAL . 28.4 m0 -86.46 147.62 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.39 149.46 33.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.463 179.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CD1' HD21 ' A' ' 37' ' ' LEU . 59.6 m-85 -124.05 142.49 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.664 ' O ' HD12 ' A' ' 37' ' ' LEU . 59.4 t80 -125.09 123.43 39.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.321 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -95.22 132.95 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 54' ' ' THR . 3.9 p30 -110.9 -29.02 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.397 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.559 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 12.2 p -62.55 119.2 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.54 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.702 ' H ' ' NE2' ' A' ' 56' ' ' GLN . 68.2 p -95.33 14.36 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.702 ' NE2' ' H ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -128.69 -13.89 4.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.8 m-85 -135.97 147.35 48.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.714 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 117' ' ' PRO . 1.3 pt-20 -92.73 146.11 23.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -94.15 119.82 33.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.299 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.453 ' CD2' HD12 ' A' ' 116' ' ' LEU . 52.3 m-70 -110.01 119.68 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.295 178.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -102.98 133.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.752 -178.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp -141.91 91.64 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -112.41 131.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.4 m -109.3 133.45 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.349 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -117.02 156.92 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -179.809 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 38.7 t30 -79.01 156.18 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.548 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.04 -44.2 30.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 89.9 m-20 -77.02 70.17 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 68' ' ' ASP . 35.5 m -153.89 114.05 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.653 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -79.28 77.86 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 pt -119.44 155.84 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.636 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -135.56 164.23 28.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.63 -179.547 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -95.76 139.03 32.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.502 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' GLY . 84.6 mt -102.66 -102.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.44 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 77' ' ' THR . . . -58.12 -151.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.382 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -59.18 -4.21 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.524 -179.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 75' ' ' GLY . 63.4 m -45.09 109.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.59 -179.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -77.85 119.95 22.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 55.0 tp -113.63 131.08 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.648 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HG3' HE22 ' A' ' 82' ' ' GLN . 21.5 pt-20 -152.95 150.88 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' C ' ' NE2' ' A' ' 82' ' ' GLN . 63.2 tt0 -108.21 152.59 24.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.684 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.459 ' NE2' ' C ' ' A' ' 81' ' ' GLN . 17.9 mm-40 -107.83 169.29 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.09 -37.39 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.718 HD22 ' N ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -58.37 -24.91 61.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.871 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.718 ' N ' HD22 ' A' ' 84' ' ' ASN . . . 98.59 53.66 1.2 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HB2' HD21 ' A' ' 84' ' ' ASN . 98.1 mt-10 -138.94 146.33 40.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.599 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.38 140.01 36.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 79' ' ' LEU . 90.5 t -126.42 133.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.92 103.15 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -114.66 146.03 41.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 p -162.07 152.27 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.521 179.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.3 t -111.66 136.45 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.638 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.2 t -117.28 131.69 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -91.27 157.73 42.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.35 154.93 68.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.797 2.331 . . . . 0.0 112.023 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 18.0 t 56.45 25.85 10.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.472 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.419 ' OE1' ' CE1' ' A' ' 125' ' ' HIS . 63.8 tt0 -147.01 156.36 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.536 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.8 m -132.25 135.14 46.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -129.76 154.74 46.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.656 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.8 mtp -80.95 153.56 27.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -112.17 -101.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.731 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.1 pp -128.13 161.35 36.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' GLY . 5.8 tm-20 -137.07 157.42 46.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.621 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . . . 119.84 -161.37 14.32 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -91.82 136.69 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.534 HG12 ' CD1' ' A' ' 109' ' ' PHE . 3.1 t -110.55 128.89 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 3.6 t30 -135.93 120.39 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 107' ' ' ASN . . . 45.18 99.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.534 ' CD1' HG12 ' A' ' 106' ' ' VAL . 25.7 p90 -145.8 152.41 39.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.794 -179.347 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 15.3 mtpp -108.73 133.36 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.339 179.175 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -111.29 134.76 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -178.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -139.92 113.89 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.288 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.419 ' SD ' HD23 ' A' ' 37' ' ' LEU . 79.3 mtm -119.97 168.58 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.024 -178.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -162.48 171.65 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.386 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -128.12 88.63 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 60' ' ' HIS . 22.4 mt -86.27 165.15 35.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 58' ' ' GLU . 4.7 Cg_exo -79.19 151.18 23.29 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.794 2.329 . . . . 0.0 112.137 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.42 119.49 20.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.1 m -88.98 -175.48 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.594 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 120' ' ' GLU . 1.8 pp20? -58.59 -29.41 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.85 -41.46 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.574 ' CE2' ' NE2' ' A' ' 126' ' ' GLN . 22.1 t80 -64.73 -41.39 95.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -55.92 -38.83 70.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.466 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -69.42 -38.99 78.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.578 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.419 ' CE1' ' OE1' ' A' ' 97' ' ' GLU . 35.7 t60 -57.06 -33.23 67.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.574 ' NE2' ' CE2' ' A' ' 122' ' ' TYR . 97.0 mt-30 -57.94 -37.9 74.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.512 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' LYS . . . -64.0 -36.49 84.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.483 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.92 -37.53 87.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.534 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.0 -38.28 85.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.506 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 131' ' ' LYS . 1.0 OUTLIER -93.4 -53.72 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 18.6 tptm . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.615 179.994 . . . . . . . . 1 1 . 1 stop_ save_